data_2l06_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 2l06 _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 ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' HD11 ' A' ' 20' ' ' LEU . . . -148.44 135.33 20.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.4 mmt -80.02 92.5 5.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 109.778 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -135.24 154.54 78.84 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.616 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 110.55 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.851 2.367 . . . . 0.0 112.565 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.87 41.53 0.34 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.356 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 15' ' ' ALA . 90.9 mt -120.39 128.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.544 0.211 . . . . 0.0 110.587 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.8 m -81.49 172.11 13.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.001 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.86 79.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.315 . . . . 0.0 111.679 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.75 -37.18 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.872 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.4 mm-40 -67.03 -49.15 66.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.018 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.14 -35.63 79.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.96 -45.34 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.527 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.05 88.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.062 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 24' ' ' GLU . 85.4 t -59.14 -49.29 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.85 -47.94 88.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.04 -36.49 83.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.735 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.25 87.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 74.2 m-85 -62.53 -41.71 99.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.743 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.56 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 24.9 mmm-85 -66.46 -18.97 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.847 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 4.4 tp-100 -94.04 -44.92 7.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.839 0.352 . . . . 0.0 111.075 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.458 HD11 HG13 ' A' ' 67' ' ' VAL . 46.3 mt -77.28 -40.66 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -176.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -96.13 -2.03 47.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.6 pt-20 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.682 1.193 . . . . 0.0 113.262 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.416 ' HB2' ' H ' ' A' ' 47' ' ' GLN . 26.5 p -161.23 -156.36 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.996 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 46' ' ' SER . 6.2 tp-100 67.73 -81.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 110.868 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 m -64.83 -35.41 81.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.038 0.447 . . . . 0.0 109.835 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.58 HG21 ' CZ ' ' A' ' 33' ' ' TYR . 65.0 mt -64.29 -41.91 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.39 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 4.8 m -66.78 -35.92 81.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.386 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.45 -43.29 70.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.771 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 48' ' ' SER . 96.4 mt -64.9 -34.26 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.231 176.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 50' ' ' SER . 34.1 tt0 -55.74 -55.7 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.331 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -64.79 -37.25 86.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.368 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -58.9 -47.08 86.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 111.458 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.48 -25.28 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.898 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.673 0.273 . . . . 0.0 110.791 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.97 -22.29 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.29 24.24 57.35 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -171.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.06 -44.59 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.262 0.553 . . . . 0.0 109.973 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -109.33 152.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -73.23 150.62 41.9 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.2 tpt -63.83 -18.52 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.422 0.63 . . . . 0.0 110.239 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -70.12 -43.83 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.823 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.754 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 31.3 tt0 -69.77 -36.31 75.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.018 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.47 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 89.4 t80 -53.98 -48.12 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.991 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.458 HG13 HD11 ' A' ' 36' ' ' ILE . 53.5 t -65.95 -47.8 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.118 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.754 ' HG2' ' HA ' ' A' ' 65' ' ' GLU . 21.7 ptt180 -64.94 -29.96 70.93 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.964 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HE ' ' HG2' ' A' ' 65' ' ' GLU . 61.6 mtt180 -64.6 -48.39 75.11 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.5 mt -61.69 -45.77 92.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.392 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.67 63.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.935 0.398 . . . . 0.0 111.525 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -97.87 3.86 49.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.096 0.474 . . . . 0.0 110.611 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.4 m -75.63 149.23 83.42 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.01 -26.66 50.69 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.234 2.622 . . . . 0.0 112.705 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.39 -57.62 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 0.0 110.479 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.22 -36.91 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 109.742 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HA ' HD22 ' A' ' 120' ' ' LEU . 58.8 ttt180 -61.9 -31.84 72.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.235 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.57 -52.26 4.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.245 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.94 -29.42 68.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.74 16.36 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -141.48 -35.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.527 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.601 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 10.3 tp10 -55.3 -52.57 70.38 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 19.5 Cg_endo -93.44 20.31 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.333 2.022 . . . . 0.0 111.903 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.75 -173.39 3.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.942 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 pt -127.73 179.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.933 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -57.41 -47.03 82.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.169 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.1 p -65.45 -32.66 74.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -79.04 -37.65 38.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.348 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.57 -33.82 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 175.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.98 -51.72 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.74 -44.65 96.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.39 -43.27 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.78 67.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 10.5 m-85 -54.6 -45.08 73.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 95' ' ' ARG . 42.7 ttm180 -63.97 -32.09 73.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.72 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -86.54 -41.27 14.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.8 mt -84.69 -52.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.82 0.343 . . . . 0.0 111.877 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.501 HD12 HD21 ' A' ' 127' ' ' LEU . 77.8 mt -95.72 -24.86 16.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.887 0.375 . . . . 0.0 111.332 -174.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.87 86.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.846 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 44.6 ttp180 -131.07 138.36 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.65 161.67 40.68 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.327 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.574 ' HB2' HG21 ' A' ' 108' ' ' VAL . 9.2 Cg_endo -54.12 115.35 2.3 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.617 2.211 . . . . 0.0 111.179 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -101.95 -44.51 5.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.407 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 108' ' ' VAL . 11.8 m -94.59 144.44 25.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.029 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -58.63 -44.82 90.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -57.02 -46.71 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.628 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 104' ' ' SER . 66.5 tt0 -57.04 -52.84 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.291 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 102' ' ' PRO . 85.3 t -51.3 -59.99 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.047 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.84 -25.86 64.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -66.82 -55.9 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -77.56 -22.91 50.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.478 ' HA ' HG11 ' A' ' 115' ' ' VAL . 81.2 t80 -62.38 -36.68 83.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.3 m -64.89 -36.7 85.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.482 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.94 -45.98 79.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' A' ' 112' ' ' PHE . 8.0 p -72.87 -17.94 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 111.501 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 m -85.22 -39.45 17.77 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.218 -0.301 . . . . 0.0 111.193 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.0 p -89.06 -64.28 1.17 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.707 0.289 . . . . 0.0 111.643 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.83 -25.61 62.15 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.984 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.77 23.79 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.745 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.1 tp -63.89 -47.96 79.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.718 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -53.53 -38.07 83.19 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.25 74.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.33 -39.4 94.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.744 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 120' ' ' LEU . 91.8 t -58.45 -52.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.87 -38.76 86.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.944 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.67 95.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.733 0.301 . . . . 0.0 111.457 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 98' ' ' LEU . 95.7 mt -77.45 -50.06 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.398 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 68' ' ' ARG . 92.8 t -66.28 -46.81 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.708 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.98 5.04 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 111.374 -174.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.6 t -57.35 119.04 5.77 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.924 0.393 . . . . 0.0 110.211 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.828 HE21 ' HA ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -62.99 -28.05 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.692 -176.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.44 -57.87 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.165 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 137' ' ' PHE . 1.6 m-85 -68.52 -22.27 64.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.384 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.49 -61.66 1.93 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.078 0.466 . . . . 0.0 111.624 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -68.2 -32.51 72.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -90.4 -21.86 21.74 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 133' ' ' TYR . 54.2 m-85 -100.64 -27.4 13.41 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.26 146.65 18.25 Favored Glycine 0 C--O 1.222 -0.65 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.837 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -85.27 -16.74 39.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -172.135 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.08 -35.57 21.75 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.7 m -62.73 128.86 37.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.473 HG11 ' HD2' ' A' ' 143' ' ' PRO . 60.0 t -75.03 135.9 73.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.473 ' HD2' HG11 ' A' ' 142' ' ' VAL . 72.8 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.385 2.056 . . . . 0.0 112.662 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 142' ' ' VAL . 90.9 m-85 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -111.2 133.52 53.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.837 -173.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.511 ' HG2' HG12 ' A' ' 28' ' ' VAL . 34.7 mtp -88.32 70.2 9.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.292 0.568 . . . . 0.0 109.734 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -102.47 148.72 35.88 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.422 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 135.13 67.52 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.948 2.432 . . . . 0.0 112.142 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.1 41.25 2.47 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.256 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -131.24 175.93 8.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.483 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 21.6 t -106.72 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.96 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.55 87.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.189 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -40.45 94.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 21' ' ' SER . 21.2 mm-40 -60.17 -47.06 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.467 . . . . 0.0 110.216 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 29' ' ' ILE . 96.5 mttt -67.59 -36.4 80.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -61.84 -38.5 88.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.041 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.85 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.221 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG12 ' HG2' ' A' ' 16' ' ' MET . 79.0 t -61.17 -44.02 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.857 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 25' ' ' LYS . 48.0 mm -59.22 -46.83 91.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.81 -42.8 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.71 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.776 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.876 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -58.87 -41.12 86.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.324 . . . . 0.0 111.482 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.3 ttp180 -62.72 -34.05 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.649 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.59 -17.88 14.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.8 mm -80.93 -40.56 18.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.25 -29.76 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.538 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.493 0.663 . . . . 0.0 110.222 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.442 ' O ' HD12 ' A' ' 49' ' ' ILE . 22.8 m-85 . . . . . 0 N--CA 1.461 0.078 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.652 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 32.9 p -156.38 19.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -65.05 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.04 0.448 . . . . 0.0 110.557 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 5.0 m -70.16 -20.14 63.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.652 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 57.5 mt -68.98 -49.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 46' ' ' SER . 49.3 m -71.75 -26.74 62.58 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 79.7 t80 -58.33 -52.32 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 48' ' ' SER . 90.3 mt -64.25 -33.25 75.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.012 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' CD ' HH21 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -59.24 -50.71 72.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.315 177.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 p -64.14 -28.36 69.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.7 0.286 . . . . 0.0 110.862 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.9 mm100 -64.45 -52.39 58.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG22 ' SD ' ' A' ' 16' ' ' MET . 14.1 p -71.74 -33.4 48.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.901 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.4 HH21 ' CD ' ' A' ' 53' ' ' GLU . 12.5 ttm180 -61.49 -45.92 92.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.558 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -75.34 -9.91 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 26.86 35.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.59 -41.61 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.156 0.503 . . . . 0.0 109.751 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.7 pt -123.96 148.72 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.725 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 p -87.4 163.41 16.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.464 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 17.9 mmt -60.54 -31.44 70.54 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.27 -47.38 65.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.219 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -80.78 -31.33 35.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.371 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.03 -49.7 76.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.106 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 63' ' ' MET . 90.2 t -60.81 -46.84 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.449 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -55.97 -47.49 77.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.473 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.84 -38.59 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.742 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.51 -19.7 61.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.459 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.57 -0.3 32.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.4 p -71.07 144.61 90.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.48 -32.22 93.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.85 -48.27 79.75 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.962 0.41 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -63.54 -44.64 93.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.63 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.494 ' HA ' HD23 ' A' ' 120' ' ' LEU . 71.5 ttt180 -58.47 -33.93 70.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.71 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -80.27 -56.37 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.47 -12.94 60.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.3 t80 -103.02 -17.83 15.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.591 0.234 . . . . 0.0 111.501 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.499 ' HB2' HD21 ' A' ' 120' ' ' LEU . 72.2 t80 -120.51 -37.17 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 42.9 tt0 -69.06 -52.47 15.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 71.8 Cg_endo -77.76 11.23 2.3 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.894 1.729 . . . . 0.0 112.752 -178.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.12 160.1 31.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 88' ' ' ARG . 25.7 pt -84.42 153.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -52.7 -43.65 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.527 0.517 . . . . 0.0 111.777 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 13.4 p -66.67 -40.15 88.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.574 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' H ' HG13 ' A' ' 85' ' ' ILE . 22.3 ttm180 -77.72 -29.07 51.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 110.632 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.12 81.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 87' ' ' SER . 40.9 mt-10 -59.52 -45.39 91.88 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.773 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.484 HD22 ' HE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -64.65 -43.48 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.138 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.41 78.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -55.21 -48.67 73.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.257 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -80.87 -19.76 43.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.855 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -89.75 -38.99 13.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.703 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 127' ' ' LEU . 73.1 mt -88.09 -54.35 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.481 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.408 HD13 HD23 ' A' ' 127' ' ' LEU . 86.2 mt -95.13 -27.69 15.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.278 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.65 67.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.187 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.465 HH21 ' HB2' ' A' ' 103' ' ' SER . 33.8 mtp85 -97.38 -171.69 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.046 0.45 . . . . 0.0 111.311 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.96 173.36 24.13 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HB3' HG21 ' A' ' 108' ' ' VAL . 70.1 Cg_exo -52.3 108.03 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.076 2.517 . . . . 0.0 112.585 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.465 ' HB2' HH21 ' A' ' 100' ' ' ARG . 29.7 t -78.45 -42.95 28.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.6 p -144.59 160.54 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -58.97 -33.58 70.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.663 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.86 -40.73 72.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.8 -46.62 89.82 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 104' ' ' SER . 93.9 t -55.93 -57.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.996 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.57 -27.59 68.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.974 -175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.76 -53.74 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.111 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.475 ' HA ' HD13 ' A' ' 114' ' ' ILE . 78.3 m-85 -79.82 -25.4 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.195 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.38 -40.04 92.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.095 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.7 m -65.59 -37.41 86.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.067 0.461 . . . . 0.0 110.259 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 111' ' ' TYR . 68.8 mt -64.18 -51.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.29 -27.4 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 111.117 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 m -81.41 -14.12 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.186 -0.321 . . . . 0.0 111.262 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -97.83 -45.22 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.13 -1.87 29.9 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.341 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.57 -171.27 49.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.25 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.564 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 38.2 tp -61.16 -48.84 90.77 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -53.96 -32.69 69.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.365 2.043 . . . . 0.0 112.999 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.57 59.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.868 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.28 -43.81 93.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.79 -43.83 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.898 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.38 -51.31 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.058 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.51 68.15 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.607 0.567 . . . . 0.0 112.399 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 97' ' ' ILE . 96.2 mt -85.1 -38.24 19.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.752 0.31 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.76 -24.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.08 -18.73 62.53 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.215 -0.303 . . . . 0.0 111.388 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.4 m -58.47 130.83 48.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.92 -29.61 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.521 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.27 -41.17 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.031 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.905 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 79.6 t80 -64.61 -50.09 68.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.901 177.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.72 85.16 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.99 -62.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.43 -41.98 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.668 0.27 . . . . 0.0 111.513 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.905 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 47.3 m-85 -86.86 -41.45 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.443 ' HA3' ' HG1' ' A' ' 141' ' ' THR . . . 108.71 120.1 4.36 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.522 176.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.79 -14.65 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.52 0.676 . . . . 0.0 109.781 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 22.0 mt-10 -92.83 -2.83 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.088 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' THR . . . . . 0.443 ' HG1' ' HA3' ' A' ' 138' ' ' GLY . 46.8 m -94.76 135.87 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.529 -171.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.559 ' HB ' ' HB2' ' A' ' 14' ' ' TYR . 50.0 t -91.78 140.14 24.94 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 168.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 C--N 1.353 0.779 0 C-N-CA 125.081 3.854 . . . . 0.0 115.055 179.021 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.449 0.642 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.1 132.71 32.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -81.04 95.69 6.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.448 0.642 . . . . 0.0 110.035 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -98.1 144.48 28.12 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 -176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -61.65 107.02 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.636 2.224 . . . . 0.0 110.986 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -17.99 4.27 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.144 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.19 140.09 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -74.62 167.84 20.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . . . -56.91 -45.13 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.948 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.58 -38.98 86.39 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 28' ' ' VAL . 33.3 mm-40 -66.5 -41.78 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.817 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -38.78 90.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.37 -42.66 87.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.172 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.21 87.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' GLU . 47.6 t -66.12 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.561 HD12 ' HB2' ' A' ' 53' ' ' GLU . 64.2 mt -64.96 -44.77 96.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.19 0.519 . . . . 0.0 110.2 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -61.61 -42.74 99.31 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.979 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.96 90.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.636 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.96 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.87 -31.33 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.36 -42.8 9.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.349 . . . . 0.0 111.722 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mm -72.83 -43.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.681 0.277 . . . . 0.0 111.665 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -109.97 -34.03 6.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.242 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.813 0.816 . . . . 0.0 109.718 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.685 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.9 p90 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.27 0.557 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -59.97 151.3 26.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.81 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.67 -8.78 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.823 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.7 t -57.35 -27.45 62.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.181 175.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.0 -39.63 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.339 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 12.3 t -72.38 -31.26 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.546 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.536 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 35.8 t80 -66.4 -38.6 87.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.808 176.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.3 mt -61.22 -46.54 90.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.362 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 29' ' ' ILE . 12.4 pt-20 -66.63 -32.9 74.52 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.664 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.5 p -71.85 -33.1 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.931 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 44.5 mt-30 -68.62 -48.92 62.85 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.834 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -64.35 -34.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' NH2' ' HB3' ' A' ' 22' ' ' ALA . 28.3 ttt180 -61.93 -48.72 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.94 -21.6 62.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 28.67 6.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.781 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -82.0 -37.5 26.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.908 0.385 . . . . 0.0 110.719 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.2 pt -126.77 149.37 31.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.306 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -77.63 168.29 20.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 tpp -62.98 -37.17 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.227 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 28.7 ttpt -57.06 -39.48 75.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.337 0.589 . . . . 0.0 109.958 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HB3' HH11 ' A' ' 69' ' ' ARG . 74.4 mm-40 -74.29 -33.05 63.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.788 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.0 t80 -62.36 -43.66 98.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.31 -46.35 92.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.419 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HB2' HG12 ' A' ' 128' ' ' VAL . 2.3 ttm180 -53.8 -48.66 69.63 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' A' ' 65' ' ' GLU . 4.2 mpt_? -69.08 -36.77 77.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.564 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 70.7 mt -67.11 -38.06 84.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.674 0.273 . . . . 0.0 111.06 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.8 -24.95 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.973 0.416 . . . . 0.0 110.739 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -81.52 -12.66 58.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.077 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.8 m -75.43 148.42 83.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.188 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.66 -42.3 50.58 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.633 2.889 . . . . 0.0 113.465 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 45' ' ' TYR . 3.5 mm? -64.95 -23.37 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.79 -45.92 11.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.389 0.614 . . . . 0.0 109.76 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HG2' HD23 ' A' ' 120' ' ' LEU . 21.1 mtp180 -70.64 -45.2 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.701 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.37 -13.75 60.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.531 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.782 HE21 ' HA ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -106.82 -46.18 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.88 -18.29 21.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HB2' HD21 ' A' ' 120' ' ' LEU . 87.5 t80 -89.6 -71.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.4 tt0 -75.51 -49.68 3.71 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 93.8 Cg_exo -47.92 -34.29 22.05 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 122.335 2.023 . . . . 0.0 113.191 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.509 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 m-85 -87.46 -83.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' A' ' 84' ' ' PHE . 10.8 tp 167.89 155.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -53.53 -47.86 69.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.1 m -60.57 -26.66 67.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.005 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.488 ' H ' HG21 ' A' ' 85' ' ' ILE . 15.1 tpp180 -86.33 -38.27 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 81' ' ' PHE . . . -62.81 -40.95 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.586 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 49.5 tp -57.69 -47.13 83.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.32 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -66.19 -46.28 77.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.031 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.23 -50.43 70.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.745 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.26 86.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.154 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.19 -58.97 5.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.823 -178.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 16.7 ptt85 -74.58 -18.39 60.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.782 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.6 -28.89 22.99 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.36 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.9 mt -99.48 -49.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.166 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.24 -5.15 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.46 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.87 -30.26 3.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.715 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -109.86 130.93 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.801 -0.235 . . . . 0.0 110.525 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.18 166.76 54.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.138 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.02 125.7 19.95 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.11 2.54 . . . . 0.0 112.396 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 m -107.86 -50.46 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.533 ' O ' HG21 ' A' ' 108' ' ' VAL . 45.9 t -102.29 147.16 27.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.978 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -65.25 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.294 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.28 -43.14 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.3 -47.07 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.383 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 104' ' ' SER . 85.7 t -58.17 -54.44 32.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.763 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.36 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 111.5 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.32 -44.89 95.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -89.89 -25.61 20.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.58 -39.89 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.421 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 p -70.25 -24.37 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.657 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.92 -48.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.41 -24.98 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.287 0.565 . . . . 0.0 110.611 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -30.05 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.043 0.449 . . . . 0.0 110.143 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.1 t -82.85 -62.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.106 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -108.37 15.98 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.302 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.36 -160.52 53.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.861 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.3 tp -67.22 -46.7 51.17 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.145 -0.455 . . . . 0.0 112.149 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.5 Cg_endo -49.04 -45.88 27.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.533 2.155 . . . . 0.0 113.134 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.72 94.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.96 0.41 . . . . 0.0 110.818 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.69 -43.45 93.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.213 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 120' ' ' LEU . 93.6 t -57.07 -52.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.986 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.94 -41.34 91.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.362 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.88 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.558 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.53 -51.83 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.168 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.496 HG12 ' HB2' ' A' ' 68' ' ' ARG . 75.5 t -63.63 -47.18 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -172.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.49 17.67 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.635 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 p -65.76 127.86 33.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.45 -24.49 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.349 -172.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 41.8 mt-10 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.03 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.418 ' OH ' ' HG3' ' A' ' 143' ' ' PRO . 29.3 t80 -66.39 -45.93 78.37 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.746 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.0 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.836 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.05 -33.93 26.34 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.462 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.45 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 16.2 t80 -62.05 -55.64 27.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.983 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -94.46 -41.75 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.127 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 113.68 149.66 10.3 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.706 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -89.69 -15.61 32.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -177.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.37 -23.95 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.981 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.4 m -90.56 145.39 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.805 -172.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.84 131.1 68.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.495 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.418 ' HG3' ' OH ' ' A' ' 133' ' ' TYR . 33.3 Cg_exo . . . . . 0 C--N 1.344 0.314 0 C-N-CA 122.744 2.296 . . . . 0.0 112.095 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.696 0.284 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.55 133.4 14.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.484 ' HE3' HG21 ' A' ' 56' ' ' VAL . 59.3 tpp -86.11 90.81 8.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.21 0.529 . . . . 0.0 109.895 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -121.42 148.68 50.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.026 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.55 -27.91 78.72 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.209 2.606 . . . . 0.0 113.443 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 34.93 2.44 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.187 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 71.1 mt -125.05 135.03 52.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.404 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 18.9 m -81.08 -177.78 6.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.207 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.73 81.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.733 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -47.27 80.11 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.873 0.368 . . . . 0.0 111.024 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 28' ' ' VAL . 2.6 mp0 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.554 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' ILE . 37.2 mttp -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.252 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -57.74 -45.47 85.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.673 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.06 94.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.677 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.542 HG13 HG22 ' A' ' 142' ' ' VAL . 90.6 t -63.07 -48.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.156 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 25' ' ' LYS . 41.5 mm -59.54 -48.28 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.225 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.15 -42.47 96.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.347 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.36 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.1 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.122 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.403 ' CZ ' ' HZ ' ' A' ' 66' ' ' PHE . 55.4 m-85 -66.18 -36.36 82.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.106 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.555 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 2.0 ttp180 -78.38 -6.4 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.039 -177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.469 ' HG2' ' HB2' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -103.84 -25.76 12.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.86 0.362 . . . . 0.0 111.016 177.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.7 -40.4 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -112.56 -4.41 14.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.82 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mp0 . . . . . 0 N--CA 1.468 0.438 0 C-N-CA 123.383 0.673 . . . . 0.0 112.519 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 121.136 0.493 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -143.62 4.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.91 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 69.83 -41.59 0.49 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.7 m -59.43 -22.57 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.9 mm -64.15 -47.08 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.982 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.191 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.459 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 64.2 t80 -58.21 -49.19 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.547 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' SER . 85.4 mt -68.79 -44.04 74.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.77 -47.05 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.965 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -62.98 -48.46 78.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.928 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 50.2 mt-30 -54.44 -52.92 60.28 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG21 ' HE3' ' A' ' 16' ' ' MET . 14.9 p -67.81 -34.86 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.961 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.72 -41.51 83.39 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.93 0.395 . . . . 0.0 110.652 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -67.25 -21.59 65.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.99 18.32 40.5 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.62 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.04 -44.81 25.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.772 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 39.1 pt -120.27 167.67 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.401 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -99.48 176.04 5.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.998 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.52 ' HE2' HG21 ' A' ' 142' ' ' VAL . 87.6 mmm -65.42 -30.23 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.77 -54.1 43.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.348 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 46.7 mm-40 -63.9 -37.36 87.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.587 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HZ ' ' CZ ' ' A' ' 33' ' ' TYR . 41.2 t80 -64.44 -52.2 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.052 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.4 -42.18 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.218 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HB2' HG11 ' A' ' 128' ' ' VAL . 29.8 ttm105 -54.57 -51.64 64.62 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.117 0.484 . . . . 0.0 110.894 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -70.31 -25.43 63.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.477 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -73.32 -45.91 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.669 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.67 62.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -76.18 -18.31 59.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.787 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.5 m -71.57 149.39 93.38 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-O 121.323 0.582 . . . . 0.0 111.857 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.66 -26.03 62.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.046 2.497 . . . . 0.0 112.074 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.84 -36.35 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.146 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.505 ' HD2' HD23 ' A' ' 120' ' ' LEU . 45.2 t80 -80.72 -27.86 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.808 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -59.09 -28.49 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 172.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -93.51 -38.87 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.249 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -98.5 112.01 24.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.437 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 68.42 22.86 7.72 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -100.01 -45.48 5.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 167.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.665 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 8.7 mm-40 61.22 104.04 0.03 OUTLIER Pre-proline 0 N--CA 1.457 -0.098 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.578 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.7 65.53 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.645 2.896 . . . . 0.0 112.417 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.665 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 97.2 m-85 -133.31 -162.32 1.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.414 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 87' ' ' SER . 15.7 tt -63.6 135.33 27.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.001 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -61.71 -17.42 55.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.409 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.2 m -61.47 -14.56 29.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.902 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -104.54 -42.25 5.49 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.425 0.631 . . . . 0.0 110.723 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.62 70.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.645 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.88 -58.8 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -64.97 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.246 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.27 -43.84 96.81 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.043 0.449 . . . . 0.0 110.473 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.33 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.383 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 98' ' ' LEU . 9.0 m-85 -55.94 -38.11 69.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.297 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -60.07 -50.28 74.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.553 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.42 ' HE2' ' CD ' ' A' ' 38' ' ' GLU . 11.0 m80 -80.54 -33.91 35.93 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.4 -45.29 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.637 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 127' ' ' LEU . 46.8 mt -105.34 -47.34 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.204 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.99 -7.46 10.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.483 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -159.48 155.3 26.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.55 174.42 54.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.71 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.7 128.4 14.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.091 2.527 . . . . 0.0 112.295 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 m -99.0 15.99 23.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 108' ' ' VAL . 42.0 t -141.56 136.11 30.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.828 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -64.18 -39.95 95.07 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.81 -43.04 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.391 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 6.7 tp10 -64.77 -35.21 80.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.923 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 104' ' ' SER . 95.2 t -60.86 -59.97 3.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.28 -32.07 69.69 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.151 0.5 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -59.4 -59.77 4.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.185 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -79.03 -23.98 43.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.652 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -59.33 -42.97 92.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 0.0 109.999 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.2 m -64.11 -40.82 97.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.6 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.12 -50.01 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.76 -23.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.0 t -77.24 -37.09 53.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.4 m -91.94 -42.49 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.7 -23.57 20.58 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.771 -176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.9 -160.62 20.91 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.751 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 56.2 tp -64.95 -52.74 47.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.87 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -52.07 -42.36 59.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 122.403 2.069 . . . . 0.0 112.609 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.885 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.0 -39.76 87.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.956 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 120' ' ' LEU . 67.5 t -61.3 -51.13 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.41 -42.14 91.12 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.972 0.415 . . . . 0.0 110.836 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.96 98.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.673 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 98' ' ' LEU . 94.0 mt -80.68 -48.97 11.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.712 -176.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' A' ' 68' ' ' ARG . 59.4 t -68.19 -44.25 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.715 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.58 9.9 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.734 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -66.25 116.88 7.77 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 169.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -67.67 -23.91 65.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.26 -52.92 59.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -68.01 -49.29 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.131 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.52 98.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.747 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -82.86 -38.65 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.536 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.53 -55.44 27.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.272 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -80.27 -38.37 31.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.095 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.8 165.14 19.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.177 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.47 -17.51 23.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.115 0.483 . . . . 0.0 110.44 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.58 -25.03 19.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.328 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.9 m -65.22 130.37 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.348 0.594 . . . . 0.0 112.41 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.542 HG22 HG13 ' A' ' 28' ' ' VAL . 92.1 t -93.42 137.7 23.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.122 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.469 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 3.3 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 123.957 3.105 . . . . 0.0 113.719 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -144.2 130.25 19.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 56' ' ' VAL . 48.1 ttm -83.06 98.74 9.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 0.0 110.321 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -135.53 143.2 44.11 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.32 117.37 4.07 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.67 2.247 . . . . 0.0 111.507 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.2 -17.29 2.94 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.503 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 15' ' ' ALA . 88.0 mt -79.72 155.7 27.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 110.371 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -81.73 170.01 16.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.944 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.06 97.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.084 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.05 -32.65 74.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.61 -49.57 70.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.122 0.487 . . . . 0.0 109.823 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 29' ' ' ILE . 99.7 mttt -65.39 -35.92 82.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -58.75 -45.02 90.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.44 91.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.032 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.49 -49.74 83.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.992 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.536 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.2 mt -66.01 -40.42 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.71 -35.7 81.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.263 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.67 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.7 87.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' HH ' ' HB2' ' A' ' 53' ' ' GLU . 54.9 m-85 -60.91 -44.95 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.207 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 34' ' ' ARG . 22.0 ttt180 -68.37 -22.0 64.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.185 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -85.89 -45.01 11.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.26 -46.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.415 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -86.19 -15.1 41.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.713 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 96' ' ' HIS . 55.7 mt-10 . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.485 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 121.16 0.505 . . . . 0.0 112.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m 56.79 -169.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.625 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -105.61 -26.44 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.074 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 m -63.69 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.877 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.54 -58.01 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.727 0.299 . . . . 0.0 111.082 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -68.41 -24.78 64.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.0 t80 -70.94 -41.93 70.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.31 -39.2 74.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.748 0.309 . . . . 0.0 110.289 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.536 ' HG3' HG21 ' A' ' 29' ' ' ILE . 34.7 tt0 -54.47 -47.4 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 p -69.55 -32.46 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.372 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.8 mt-30 -64.37 -47.45 79.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.959 0.409 . . . . 0.0 110.854 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG22 ' SD ' ' A' ' 16' ' ' MET . 8.5 p -74.01 -32.35 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.003 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -74.75 -27.74 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.028 176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -67.34 -25.73 66.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 174.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 11.04 61.21 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.85 -45.29 51.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.563 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -112.86 176.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.936 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.8 p -117.85 -178.77 3.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.0 mmm -63.54 -18.6 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.039 0.447 . . . . 0.0 110.261 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.22 -59.57 5.2 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.545 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -65.97 -40.0 90.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.095 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 27.5 t80 -56.62 -56.2 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.278 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.48 -47.07 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.64 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HB3' HG12 ' A' ' 128' ' ' VAL . 10.8 ptt180 -68.27 -32.02 71.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.564 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -73.17 -34.3 65.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 90.9 mt -66.42 -48.6 69.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -71.13 -25.06 62.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.818 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' A' ' 121' ' ' PRO . 55.9 tttm -76.98 -17.99 58.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.8 m -61.53 139.1 95.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.479 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.45 -26.84 46.59 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.792 2.994 . . . . 0.0 113.297 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.23 -45.24 92.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.4 -22.98 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.981 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.532 ' HA ' HD21 ' A' ' 120' ' ' LEU . 53.5 ttt-85 -80.79 -31.54 35.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.05 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -78.37 -38.24 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.38 -177.84 6.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 39.8 t80 68.4 -64.72 0.29 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' HB2' HD22 ' A' ' 120' ' ' LEU . 86.5 t80 -79.44 -44.25 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 13.7 mm-40 -69.69 -49.32 21.44 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -177.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 25.6 Cg_endo -63.4 -19.48 68.16 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.055 1.836 . . . . 0.0 112.772 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -112.45 -162.17 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -119.86 167.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.507 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.52 -39.88 71.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.951 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 p -60.98 -52.74 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.451 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 53.7 mtt180 -70.05 -29.85 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.65 99.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 0.0 110.17 176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.86 -46.17 90.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.566 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 92.4 mt -67.3 -37.34 83.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.683 0.278 . . . . 0.0 110.753 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.93 79.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.426 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -58.4 -34.9 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.901 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.438 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 25.2 tpt180 -73.34 -31.71 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.514 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 38' ' ' GLU . 25.8 m80 -81.9 -45.22 15.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.617 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.491 HD11 HG12 ' A' ' 124' ' ' VAL . 64.9 mt -84.15 -74.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.896 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.96 -26.76 63.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.941 0.4 . . . . 0.0 111.162 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 78.46 21.26 70.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -137.34 -169.86 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.74 147.34 17.92 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.517 ' HB2' HG21 ' A' ' 108' ' ' VAL . 18.2 Cg_endo -59.65 112.21 1.19 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.389 2.06 . . . . 0.0 111.212 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -96.47 -22.04 17.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.857 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.2 t -97.91 140.95 31.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.956 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -64.42 -40.36 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 110.367 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 46.1 mt-10 -59.76 -44.59 93.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.83 174.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 102' ' ' PRO . 41.9 tt0 -60.71 -44.97 95.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.415 -178.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.517 HG21 ' HB2' ' A' ' 102' ' ' PRO . 60.5 t -55.59 -57.95 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.939 0.399 . . . . 0.0 110.587 177.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.5 -26.27 66.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.774 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.0 tmtm? -63.7 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 110.33 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.05 -23.91 21.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.1 -40.75 90.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.116 0.484 . . . . 0.0 110.14 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 p -70.61 -36.14 73.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 110' ' ' LYS . 71.1 mt -60.29 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.966 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.416 ' HB ' HD23 ' A' ' 123' ' ' LEU . 11.6 p -68.46 -27.53 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.466 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 m -81.44 -40.51 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.99 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.4 t -73.85 -46.19 46.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.696 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.59 -70.67 1.1 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.057 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 154.72 -174.51 33.01 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.553 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 59.8 tp -62.18 -50.52 79.67 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.82 0.31 . . . . 0.0 111.482 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.688 ' HB3' ' HG3' ' A' ' 72' ' ' LYS . 52.0 Cg_exo -55.95 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.929 1.753 . . . . 0.0 112.348 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.75 98.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.957 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 115' ' ' VAL . 64.2 tp -61.49 -49.43 76.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.144 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.491 HG12 HD11 ' A' ' 97' ' ' ILE . 96.7 t -58.96 -45.97 91.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.522 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.08 -54.78 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.035 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.81 -31.27 64.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.638 0.256 . . . . 0.0 111.189 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 68' ' ' ARG . 79.9 t -78.88 -33.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.511 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.93 -4.28 56.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.581 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.9 p -54.75 138.82 41.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -75.08 -16.66 60.55 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.524 -177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -61.06 -60.36 3.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 0.0 109.44 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 2.5 t80 -62.84 -36.16 82.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.914 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.09 -26.01 65.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.486 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.86 -20.42 33.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.667 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 1.0 OUTLIER -50.47 -65.39 0.57 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.794 -172.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -151.66 -41.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -174.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 154.52 174.58 24.71 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 119.055 -1.545 . . . . 0.0 113.81 -170.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -109.32 -4.94 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -32.77 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.933 0.397 . . . . 0.0 111.625 -170.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -77.02 159.05 30.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 143' ' ' PRO . 37.6 t -72.48 141.32 82.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.497 ' HD2' HG12 ' A' ' 142' ' ' VAL . 78.2 Cg_exo . . . . . 0 C--N 1.348 0.536 0 C-N-CA 123.158 2.572 . . . . 0.0 114.567 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.33 133.59 55.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.72 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.404 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 41.5 ttm -82.03 94.16 7.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.316 0.579 . . . . 0.0 109.866 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.663 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 72.8 mttt -72.03 153.94 92.59 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.295 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.6 100.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.637 2.225 . . . . 0.0 112.232 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 34.24 53.68 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.405 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -71.46 156.11 39.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 178.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.51 160.43 19.42 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.33 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.564 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.25 -47.13 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.808 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.6 mp0 -61.31 -46.56 89.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.557 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.3 ttmt -62.53 -40.12 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.404 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.27 -48.57 81.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.956 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.9 99.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.521 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.1 t -62.42 -50.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.363 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.79 -37.5 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.64 -45.3 94.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.226 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.38 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.594 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.88 82.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.192 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 43.9 m-85 -70.31 -23.44 62.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 40.7 ttp180 -83.27 -16.77 45.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.156 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.75 -44.85 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.424 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.42 HD12 HG12 ' A' ' 67' ' ' VAL . 49.8 mm -76.53 -60.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.432 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.82 4.2 31.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.072 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.652 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 38.0 mt-10 . . . . . 0 N--CA 1.466 0.334 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.642 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -161.27 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.977 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.97 -47.92 67.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -60.82 -36.37 78.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.759 0.79 . . . . 0.0 110.445 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.52 HG21 ' CZ ' ' A' ' 33' ' ' TYR . 75.4 mt -67.44 -47.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.24 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 p -69.09 -31.66 70.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.823 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.31 -52.5 61.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.228 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.83 -38.19 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.356 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.78 -50.44 72.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.197 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 m -61.3 -38.33 86.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -69.99 -42.82 72.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.66 -31.55 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.332 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.84 -32.3 73.48 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.628 175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.48 -19.31 60.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.23 11.37 75.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.544 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.67 -45.6 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.112 0.482 . . . . 0.0 110.35 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.1 pt -119.95 140.36 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.282 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.1 p -74.92 173.02 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpt -68.26 -30.64 69.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' ' 129' ' ' ASP . 79.2 tttt -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.956 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 68' ' ' ARG . 28.3 tp10 -64.69 -42.71 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.06 -53.01 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.332 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.42 HG12 HD12 ' A' ' 36' ' ' ILE . 56.3 t -60.11 -42.9 91.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 27.0 ttp180 -61.24 -42.15 98.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -65.42 -36.11 82.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.045 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.58 -54.81 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.24 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -74.12 -18.79 60.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.158 -174.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 12.6 tmtt? -79.13 -22.32 45.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -71.36 154.96 93.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.703 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.61 -26.47 46.26 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.741 2.961 . . . . 0.0 114.051 -176.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.15 -53.76 53.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -68.0 -32.96 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.618 0.723 . . . . 0.0 109.469 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HA ' HD23 ' A' ' 120' ' ' LEU . 30.0 ttm180 -66.09 -42.34 89.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.664 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -76.42 -11.4 59.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.722 0.296 . . . . 0.0 111.138 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.65 -44.08 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 0.0 111.046 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -115.09 48.19 1.19 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.705 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -165.73 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.456 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 33.6 mm-40 -77.85 -59.26 0.81 Allowed Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.757 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 58.9 Cg_endo -77.93 -53.79 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.42 1.413 . . . . 0.0 111.769 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.3 131.86 35.23 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.7 pt -83.07 170.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.923 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -52.17 -32.64 36.85 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.274 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 m -52.67 -50.51 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.664 0.386 . . . . 0.0 111.624 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -91.11 -27.67 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.73 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.88 80.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.753 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.69 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.28 -52.38 61.6 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.19 -37.59 83.94 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.293 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.88 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.617 0.246 . . . . 0.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -56.72 -39.55 74.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.101 0.476 . . . . 0.0 111.424 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -81.27 -39.09 25.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.676 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.55 -33.75 58.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 85.5 mt -95.24 -60.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.662 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.698 HD12 HD21 ' A' ' 127' ' ' LEU . 73.2 mt -78.18 -18.22 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.435 -173.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.42 21.39 76.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.808 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -117.29 -56.58 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.529 . . . . 0.0 111.133 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.1 172.68 37.23 Favored Glycine 0 N--CA 1.442 -0.94 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.528 ' HB3' HG23 ' A' ' 108' ' ' VAL . 16.1 Cg_exo -68.2 88.93 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.45 2.1 . . . . 0.0 111.441 176.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -75.16 -39.57 60.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.456 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.624 ' HB2' ' OE1' ' A' ' 106' ' ' GLU . 13.6 p -128.36 149.02 50.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.746 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 6.5 tpt180 -65.87 -34.22 77.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 110.992 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.624 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 4.3 pm0 -67.58 -37.88 83.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.24 -36.2 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' A' ' 102' ' ' PRO . 86.8 t -56.72 -57.93 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.427 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -61.0 -38.47 86.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.869 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.61 -48.2 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.854 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.8 -23.33 17.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.86 -37.52 84.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.112 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -62.79 -34.04 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.258 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.82 -46.85 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.438 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -71.02 -18.83 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.1 t -82.25 -28.39 31.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.4 p -100.5 -49.2 4.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.21 -4.47 56.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.916 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.26 -170.95 51.41 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.642 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 31.9 tp -63.73 -46.4 82.44 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.7 Cg_endo -49.55 -45.89 29.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.452 2.102 . . . . 0.0 113.01 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.4 88.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.438 HD22 ' HB ' ' A' ' 115' ' ' VAL . 63.2 tp -62.86 -50.37 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.472 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.48 -47.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.45 -48.18 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.782 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 130' ' ' SER . . . -59.61 -39.85 85.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.698 HD21 HD12 ' A' ' 98' ' ' LEU . 94.2 mt -72.22 -49.31 36.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.575 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 43.2 t -76.82 -41.78 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.67 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.2 t70 -81.12 -6.37 58.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -173.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' ' 126' ' ' ALA . 95.5 p -62.8 142.22 58.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.452 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -80.61 -20.35 43.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.876 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.02 -55.2 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.429 ' O ' ' HD1' ' A' ' 137' ' ' PHE . 54.6 t80 -66.73 -41.26 88.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.464 ' HA ' ' HE1' ' A' ' 137' ' ' PHE . . . -57.19 -41.14 78.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.375 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.84 -32.06 72.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.104 0.478 . . . . 0.0 110.492 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.48 -56.56 11.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.278 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.464 ' HE1' ' HA ' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -102.24 -26.86 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.305 -172.182 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.35 151.1 27.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.91 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 pm0 -74.52 -9.19 58.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.833 0.316 . . . . 0.0 111.519 -173.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.01 -13.44 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.62 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.9 m -93.35 148.66 21.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -170.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -87.16 130.24 48.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.857 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 C--O 1.236 0.398 0 C-N-CA 123.37 2.713 . . . . 0.0 112.871 178.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.541 ' HB3' HG23 ' A' ' 28' ' ' VAL . 93.3 m-85 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -123.47 141.81 51.63 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.805 -173.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.481 ' SD ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -89.4 43.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.967 172.104 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HE2' HD21 ' A' ' 20' ' ' LEU . 24.0 pttm -88.87 156.02 49.83 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.82 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.3 151.46 83.32 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.927 2.418 . . . . 0.0 111.836 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.57 45.3 6.51 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.106 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.555 HD23 ' HG2' ' A' ' 24' ' ' GLU . 84.5 mt -126.72 157.88 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.811 0.339 . . . . 0.0 110.5 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -80.96 162.85 23.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.49 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.68 -32.88 74.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HG2' HD23 ' A' ' 20' ' ' LEU . 13.8 tp10 -67.59 -48.77 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.882 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HE2' ' HB2' ' A' ' 20' ' ' LEU . 71.7 mmtt -57.24 -42.63 81.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.393 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -63.27 -44.87 93.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.901 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.94 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.282 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' A' ' 14' ' ' TYR . 51.7 t -61.67 -49.76 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.094 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.434 HG23 ' HG3' ' A' ' 53' ' ' GLU . 66.4 mt -65.0 -43.39 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.29 -43.92 97.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.34 99.29 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -60.55 -51.48 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -56.53 -35.81 68.52 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.587 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 63.7 ttt180 -74.65 -26.67 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.206 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -91.05 -6.48 53.8 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.772 -0.58 . . . . 0.0 111.553 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.617 HG12 ' O ' ' A' ' 32' ' ' ALA . 51.0 mm -90.27 -58.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' HE1' ' HB2' ' A' ' 76' ' ' TYR . 33.9 m-85 -121.31 6.14 10.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.518 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.587 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 15.6 tp10 . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.919 0.866 . . . . 0.0 108.715 -167.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m 66.37 124.48 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.728 0.775 . . . . 0.0 112.409 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.67 -28.86 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.365 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -60.06 -37.03 78.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.8 mm -66.9 -39.86 84.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.338 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -70.38 -33.11 71.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.87 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.9 t80 -67.86 -51.42 48.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.67 -38.25 84.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HG3' HG23 ' A' ' 29' ' ' ILE . 39.2 tt0 -57.84 -42.53 84.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.995 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -79.01 -33.32 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.42 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 18.2 mm100 -59.52 -50.12 75.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.642 0.258 . . . . 0.0 110.906 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.8 p -71.28 -32.84 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -60.08 -40.68 90.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.969 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.54 -1.77 56.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.04 27.97 63.32 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.89 -39.66 42.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.266 0.555 . . . . 0.0 109.861 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -122.39 144.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.9 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -75.82 160.86 29.53 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.6 tpp -56.23 -27.36 54.63 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 110.275 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HD2' HG11 ' A' ' 128' ' ' VAL . 21.3 tptm -50.23 -59.62 3.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.874 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.03 -28.01 64.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.587 -174.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.0 t80 -64.96 -62.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.016 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG21 HD13 ' A' ' 36' ' ' ILE . 53.3 t -57.55 -42.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.255 0.55 . . . . 0.0 110.6 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -54.77 -56.7 16.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.376 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.672 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.8 mt -69.64 -46.05 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.221 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -10.0 59.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.509 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.83 16.08 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.984 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -77.61 147.5 75.04 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.597 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.73 -34.13 95.5 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.696 2.264 . . . . 0.0 112.204 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.9 tp -61.38 -53.55 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 177.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.688 ' HB2' ' HE1' ' A' ' 37' ' ' PHE . 87.7 t80 -67.52 -33.73 75.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.693 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HA ' HD21 ' A' ' 120' ' ' LEU . 59.9 ttp180 -60.55 -39.98 89.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -72.3 -35.32 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.9 mm-40 -69.96 133.36 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.489 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 83' ' ' PRO . 72.0 m-85 72.74 -41.84 0.52 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.539 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HB2' HD22 ' A' ' 120' ' ' LEU . 76.2 t80 -65.35 -27.71 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.638 -177.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.543 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 5.9 mm-40 -83.12 -53.14 0.6 Allowed Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 35.5 Cg_exo -63.03 -31.79 76.22 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.09 1.86 . . . . 0.0 112.83 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -120.4 130.36 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 pt -73.62 176.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.263 . . . . 0.0 110.995 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.04 -35.93 62.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -61.91 -38.16 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.957 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.09 -35.32 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.61 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD11 HD21 ' A' ' 123' ' ' LEU . 44.6 tp -58.1 -58.79 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.385 175.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.19 -38.01 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.54 -45.12 94.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.188 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.86 92.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.493 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 14.1 m-85 -58.34 -40.24 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.363 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -83.64 -27.85 28.83 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -77.59 -27.85 51.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.815 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.491 HD13 HD12 ' A' ' 127' ' ' LEU . 72.8 mt -102.86 -69.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.686 0.279 . . . . 0.0 111.248 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 HD13 HD21 ' A' ' 127' ' ' LEU . 62.2 mt -69.34 -41.05 77.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.53 17.71 11.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -145.43 -84.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.744 0.772 . . . . 0.0 111.721 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 155.85 172.32 23.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.073 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.58 155.59 40.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.789 2.326 . . . . 0.0 112.086 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.8 p -90.14 -62.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.54 ' O ' HG21 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -133.58 174.7 10.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -171.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 105' ' ' ARG . 49.2 mtt180 -54.79 -47.73 73.6 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.514 0.509 . . . . 0.0 112.365 -171.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -58.91 -46.06 88.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.3 -37.85 84.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.945 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 104' ' ' SER . 97.0 t -62.7 -58.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.265 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.92 -28.66 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -57.63 -57.14 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.757 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -79.58 -23.48 42.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.6 -34.59 75.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.157 0.503 . . . . 0.0 109.867 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 m -65.45 -34.24 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.375 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.29 -46.14 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.64 -21.18 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.4 t -82.22 -47.65 12.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.6 t -69.67 -55.8 8.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.449 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -93.19 -41.18 4.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.599 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.86 -172.58 15.17 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.826 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.568 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.9 tp -59.17 -51.09 84.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.814 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 37.2 Cg_exo -58.91 -33.0 98.45 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.731 1.621 . . . . 0.0 112.503 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.21 79.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.939 0.399 . . . . 0.0 110.324 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 90' ' ' LEU . 60.9 tp -66.78 -38.21 86.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.818 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.66 -51.7 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.438 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.35 -42.31 81.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.705 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.33 77.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.491 HD12 HD13 ' A' ' 97' ' ' ILE . 96.0 mt -87.66 -36.41 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.419 HG11 ' HD2' ' A' ' 64' ' ' LYS . 58.2 t -80.46 -27.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.897 0.379 . . . . 0.0 111.238 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -98.51 13.87 30.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.429 0.633 . . . . 0.0 110.371 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -71.32 137.5 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -70.52 -49.71 45.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.728 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.34 -39.76 91.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.37 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -70.15 -39.36 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.24 95.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.068 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.08 -29.73 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.951 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -83.01 -55.78 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.91 -42.42 9.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.45 171.17 26.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.518 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.52 -37.94 10.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.515 0.197 . . . . 0.0 111.482 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.635 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 52.3 mt-10 -70.82 -33.78 71.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.315 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 90.9 m -88.8 122.24 32.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 143' ' ' PRO . 25.6 t -63.72 128.4 92.73 Favored Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 142' ' ' VAL . 39.6 Cg_exo . . . . . 0 CA--C 1.522 -0.124 0 C-N-CA 123.533 2.822 . . . . 0.0 112.889 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.319 0.58 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 141' ' ' THR . . . -147.71 141.88 26.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.899 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.542 ' SD ' HG22 ' A' ' 56' ' ' VAL . 46.5 ttm -103.32 106.36 16.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.245 0.545 . . . . 0.0 109.747 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -126.96 156.9 73.43 Favored Pre-proline 0 C--N 1.316 -0.869 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.591 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.36 108.61 0.53 Allowed 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.262 1.974 . . . . 0.0 111.523 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.46 38.01 0.43 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.131 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -117.45 168.62 10.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.965 0.412 . . . . 0.0 110.704 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.587 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 20.3 m -103.08 -177.09 3.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.438 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 -55.23 23.24 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -35.24 79.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 2.1 mp0 -58.87 -50.25 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.872 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' HG13 ' A' ' 29' ' ' ILE . 82.1 mttt -61.99 -46.79 87.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.721 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -61.52 -40.16 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.213 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.09 95.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' GLU . 96.3 t -65.21 -40.49 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.777 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.426 HG22 ' CE2' ' A' ' 33' ' ' TYR . 67.7 mt -64.54 -45.72 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.36 -46.15 89.45 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.131 0.491 . . . . 0.0 110.567 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.94 89.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.29 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.63 74.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CE2' HG22 ' A' ' 29' ' ' ILE . 28.7 m-85 -55.11 -60.43 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.268 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.97 -22.6 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.88 -173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -80.31 -43.85 20.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.242 -0.287 . . . . 0.0 111.204 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.41 -48.12 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.655 ' HA ' ' HE1' ' A' ' 76' ' ' TYR . 82.6 m-85 -84.49 -5.24 59.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.576 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' ' HZ ' ' A' ' 80' ' ' PHE . 28.7 mm-40 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.039 0.447 . . . . 0.0 111.457 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.375 0.607 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.3 t -140.17 150.14 43.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.5 -30.4 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.0 110.815 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.465 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 24.5 m -63.85 -28.82 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.986 177.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -73.15 -46.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -61.57 -34.45 75.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 71.2 t80 -59.45 -55.18 37.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.8 mt -58.37 -43.53 88.47 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.98 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 29' ' ' ILE . 26.6 tt0 -53.58 -51.09 64.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.344 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 -39.01 83.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 25.5 mm-40 -63.64 -55.51 23.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.542 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.2 p -66.97 -33.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.857 0.36 . . . . 0.0 110.604 -176.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.02 -47.81 83.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -82.47 -6.74 59.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.94 31.31 23.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.91 -41.22 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.28 0.562 . . . . 0.0 109.75 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.8 pt -122.32 161.34 23.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.08 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -81.2 160.51 24.3 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.266 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.8 tpt -65.23 -37.5 87.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 139' ' ' GLU . 13.0 tmtt? -59.13 -37.89 78.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.426 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.55 -34.32 65.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.1 t80 -60.88 -47.39 86.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.77 -48.47 88.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.992 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HB2' HG12 ' A' ' 128' ' ' VAL . 1.5 ttm-85 -59.88 -42.84 94.64 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -70.97 -41.07 71.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.769 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD13 ' HE1' ' A' ' 37' ' ' PHE . 71.5 mt -60.62 -49.16 78.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 111.323 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.27 63.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.47 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.27 -9.6 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.107 0.48 . . . . 0.0 110.412 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.3 m -70.56 144.95 92.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.26 -30.28 71.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.149 2.566 . . . . 0.0 112.17 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 tp -55.2 -53.46 55.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.655 ' HE1' ' HA ' ' A' ' 37' ' ' PHE . 32.0 t80 -71.09 -34.57 71.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 0.0 110.635 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.795 ' HG2' HD22 ' A' ' 120' ' ' LEU . 43.9 mtp180 -69.64 -25.97 64.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.181 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 9.8 mmmm -77.15 -11.61 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.83 -61.0 1.52 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.699 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.486 ' HZ ' ' HG3' ' A' ' 38' ' ' GLU . 12.2 m-85 -95.8 62.73 2.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.641 -175.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.48 ' HB2' HD23 ' A' ' 120' ' ' LEU . 73.0 t80 -178.49 -64.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.543 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 19.5 tt0 -67.45 -48.65 44.68 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -172.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 6.7 Cg_exo -76.23 10.19 2.2 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.258 1.972 . . . . 0.0 112.595 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -130.17 176.17 8.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.4 pt -89.65 149.97 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.54 -39.61 77.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.27 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 t -58.63 -39.57 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 25.5 ttt180 -87.1 -32.07 20.11 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.797 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.16 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.117 0.484 . . . . 0.0 109.914 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 123' ' ' LEU . 30.6 tp -56.92 -48.43 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.961 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.17 -40.68 96.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.559 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.8 mt -61.39 -37.78 84.66 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.124 0.488 . . . . 0.0 110.871 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.03 83.75 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.427 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.581 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 34.9 m-85 -57.54 -39.92 77.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.533 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -58.89 -50.07 75.38 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -84.28 -36.43 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.7 mt -83.78 -49.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.0 -8.16 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.52 43.87 98.36 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.292 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.581 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 27.7 ttt-85 -159.29 114.91 2.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.461 -0.199 . . . . 0.0 110.461 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.61 143.64 30.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.551 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' A' ' 108' ' ' VAL . 56.4 Cg_endo -72.11 99.36 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -82.48 -33.61 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.3 m -84.88 131.12 34.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -63.59 -36.3 83.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.687 0.28 . . . . 0.0 110.649 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.53 -35.35 79.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.313 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.29 -44.36 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.615 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 104' ' ' SER . 71.7 t -58.81 -53.69 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.13 -30.69 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.17 -58.28 9.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 95.7 m-85 -74.15 -23.94 59.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.492 ' HA ' HG13 ' A' ' 115' ' ' VAL . 90.2 t80 -61.15 -36.48 79.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.5 . . . . 0.0 109.833 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -68.0 -29.89 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.474 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.83 -46.72 34.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 112' ' ' PHE . 11.0 p -70.93 -22.54 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.569 -176.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 p -85.16 -53.9 4.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.312 . . . . 0.0 111.267 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -75.82 -46.84 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.555 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.24 -47.94 4.76 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.76 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.57 173.97 14.34 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.795 HD22 ' HG2' ' A' ' 77' ' ' ARG . 46.4 tp -63.09 -46.31 86.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.486 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -52.95 -37.82 78.68 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.096 1.864 . . . . 0.0 112.229 176.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.84 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.575 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 90' ' ' LEU . 41.9 tp -58.92 -54.21 49.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.41 -42.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.894 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.55 -41.91 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.566 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.63 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.187 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 91.8 mt -69.1 -52.01 32.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.441 HG12 ' HB2' ' A' ' 68' ' ' ARG . 46.6 t -69.63 -36.31 70.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.808 0.337 . . . . 0.0 111.567 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.17 31.2 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.313 0.577 . . . . 0.0 110.906 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 133' ' ' TYR . 24.3 p -76.2 139.52 41.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.02 -45.72 86.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.893 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.71 -45.87 81.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.64 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.405 ' HB3' ' OG ' ' A' ' 130' ' ' SER . 70.5 t80 -64.79 -46.07 83.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.045 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.0 -49.08 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.693 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.23 -30.71 54.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -72.2 -48.97 39.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.165 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -88.56 -40.81 13.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.863 -169.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.04 -168.51 23.46 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.65 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 pt-20 -117.72 -1.19 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 141' ' ' THR . 6.0 pt-20 -93.03 -45.22 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' A' ' 140' ' ' GLU . 4.1 m -79.19 155.56 28.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -168.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.2 t -95.2 122.55 59.52 Favored Pre-proline 0 CA--C 1.53 0.211 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo . . . . . 0 C--O 1.236 0.404 0 C-N-CA 122.66 2.24 . . . . 0.0 113.569 -175.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.207 0.527 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.48 125.13 26.78 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.344 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 16' ' ' MET . 34.5 ttm -80.38 94.79 6.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.399 0.618 . . . . 0.0 110.705 -175.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -95.9 145.91 30.38 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.15 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -61.14 112.07 1.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.614 2.209 . . . . 0.0 110.926 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.88 7.71 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.309 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.84 146.95 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.595 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 4.2 m -63.57 150.72 43.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.119 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.59 72.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.503 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.68 -35.75 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.595 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 49.7 mt-10 -71.92 -41.23 68.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.007 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 29' ' ' ILE . 93.7 mttt -58.15 -44.39 87.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.401 175.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -59.46 -42.0 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.5 85.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.175 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' GLU . 86.2 t -57.68 -45.35 86.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 53' ' ' GLU . 74.3 mt -65.69 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.68 -33.81 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 0.0 110.592 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.28 84.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.446 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.28 82.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -54.74 -53.43 55.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 48.9 mtm180 -70.25 -22.41 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.591 -173.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -89.18 -42.61 11.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.639 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 mm -75.68 -48.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.632 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -82.67 -29.15 30.17 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.753 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.1 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.948 0.404 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 17.9 t -162.87 -151.01 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 71.36 -74.03 0.09 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.698 0.624 . . . . 0.0 110.087 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -68.17 -40.7 82.21 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 61.4 mt -67.52 -44.29 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.943 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 p -66.9 -32.04 73.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -62.08 -45.2 94.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.953 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.97 -45.55 81.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.554 ' HG3' HD12 ' A' ' 29' ' ' ILE . 38.2 tt0 -58.21 -42.2 85.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -55.32 -49.69 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.606 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 53' ' ' GLU . 14.1 p -78.08 -37.5 22.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.09 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 57' ' ' ARG . 18.3 ttm180 -66.09 -30.23 70.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 110.552 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -74.17 -18.85 60.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.36 21.08 55.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.775 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.77 -36.02 18.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.683 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 pt -116.09 157.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.814 0.34 . . . . 0.0 110.449 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.51 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 13.0 m -72.41 146.45 46.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -33.86 76.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.452 0.644 . . . . 0.0 109.424 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG3' HG11 ' A' ' 128' ' ' VAL . 18.5 tptm -53.06 -42.04 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.763 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 7.5 tp10 -68.38 -42.5 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.566 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.09 -42.05 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 143' ' ' PRO . 61.3 t -63.36 -44.37 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.262 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HB2' HG13 ' A' ' 128' ' ' VAL . 39.5 ttp180 -59.14 -38.09 78.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.744 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HD3' ' HE2' ' A' ' 72' ' ' LYS . 12.1 mmt180 -64.46 -45.78 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.24 -41.02 97.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.006 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB2' HG13 ' A' ' 124' ' ' VAL . . . -69.8 -29.69 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.349 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.571 ' HE2' ' HD3' ' A' ' 69' ' ' ARG . 65.9 pttt -96.23 10.96 36.17 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.08 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 m -74.51 144.09 80.25 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.431 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 87.7 Cg_exo -48.63 -41.03 38.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.522 2.815 . . . . 0.0 113.457 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.25 -36.72 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 111.011 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -73.11 -24.26 60.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG2' HD23 ' A' ' 120' ' ' LEU . 78.3 mtp180 -82.83 -29.65 29.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.871 175.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 74.4 mmtt -71.79 -32.64 67.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.479 . . . . 0.0 109.912 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -96.35 -175.97 3.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.9 t80 68.11 -70.12 0.13 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.56 -16.77 53.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.455 . . . . 0.0 111.116 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.596 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -75.13 -51.38 3.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.666 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 3.1 Cg_exo -78.44 -23.19 8.83 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 0.0 112.513 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.84 114.19 22.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.1 pt -66.72 172.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.02 -43.86 19.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.016 0.526 . . . . 0.0 111.553 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -59.63 -31.25 69.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.351 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -103.97 -29.72 10.75 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.886 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.12 78.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 111' ' ' TYR . 39.2 tp -61.05 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.67 -48.95 77.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.373 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 80' ' ' PHE . 1.5 tt -64.45 -44.39 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' HB1' ' HZ ' ' A' ' 80' ' ' PHE . . . -63.59 -46.8 84.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.352 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.58 -49.28 76.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 110.264 -178.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 95' ' ' ARG . 10.5 ttm180 -68.76 -29.44 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.04 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' A' ' 36' ' ' ILE . 5.7 t-80 -76.97 -30.59 56.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.495 -175.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.48 HD13 HD12 ' A' ' 127' ' ' LEU . 70.9 mt -93.4 -51.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.436 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.441 HD13 HD21 ' A' ' 127' ' ' LEU . 77.7 mt -94.92 -25.61 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.45 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.67 -4.71 79.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.407 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 43.9 ttt85 -114.43 140.33 48.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.26 155.26 21.35 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.491 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.11 129.61 33.94 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.673 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 t -123.21 -38.43 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.654 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 1.2 m -87.95 136.54 32.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -67.06 -35.58 80.16 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.542 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -78.21 -31.69 49.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 104' ' ' SER . 27.5 tt0 -59.9 -47.44 85.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.029 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 104' ' ' SER . 92.3 t -57.67 -54.63 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.669 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -57.16 -36.54 70.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.702 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.495 ' O ' HG13 ' A' ' 114' ' ' ILE . 61.6 tttm -59.51 -59.88 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.433 . . . . 0.0 110.597 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.441 ' HB3' HD12 ' A' ' 90' ' ' LEU . 92.7 m-85 -72.99 -28.12 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.562 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.58 -38.95 93.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.034 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -70.25 -31.85 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.083 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 110' ' ' LYS . 77.2 mt -66.39 -47.58 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.526 ' HB ' HD23 ' A' ' 123' ' ' LEU . 15.0 p -72.05 -29.06 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.437 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.7 m -83.18 -45.3 14.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.628 0.252 . . . . 0.0 111.428 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 t -80.85 -46.06 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 -177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.6 -60.06 1.94 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.83 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.35 174.27 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.289 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 61.1 tp -60.1 -49.99 88.34 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.561 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -56.74 -31.59 88.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 121.945 1.763 . . . . 0.0 112.172 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.99 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.526 HD23 ' HB ' ' A' ' 115' ' ' VAL . 54.7 tp -61.34 -48.24 82.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 71' ' ' ALA . 93.9 t -58.26 -45.67 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.301 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.93 -42.59 99.28 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.775 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.6 75.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.521 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 97' ' ' ILE . 99.1 mt -84.09 -31.67 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.829 0.347 . . . . 0.0 111.864 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 68' ' ' ARG . 99.4 t -85.44 -42.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.89 -30.22 61.24 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 p -58.49 127.39 31.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.162 0.506 . . . . 0.0 111.37 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.412 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . 50.6 tp60 -63.35 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.357 -174.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.38 -52.58 64.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.685 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 137' ' ' PHE . 21.6 m-85 -77.74 -22.29 50.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . . . -69.34 -51.61 35.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.13 0.49 . . . . 0.0 110.745 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.78 -51.59 57.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.381 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -75.94 -25.68 56.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -172.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 57.6 m-85 -90.71 -40.95 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.113 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.94 131.04 7.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.707 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 20.5 mm-40 -79.1 -19.11 52.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.791 0.329 . . . . 0.0 111.252 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -84.86 -13.55 50.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 0.0 110.072 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.1 m -84.65 144.05 28.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.141 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.9 t -88.19 127.53 56.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.586 172.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 67' ' ' VAL . 60.6 Cg_endo . . . . . 0 CA--C 1.532 0.41 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.427 ' HB3' HG13 ' A' ' 28' ' ' VAL . 96.6 m-85 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.4 151.4 38.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.527 ' SD ' HG21 ' A' ' 56' ' ' VAL . 51.7 ttm -113.15 112.8 24.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.103 0.478 . . . . 0.0 110.835 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -135.87 154.62 77.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.372 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.59 127.23 25.31 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.48 2.12 . . . . 0.0 111.712 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.95 25.62 5.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.402 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -117.66 147.39 42.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.646 0.26 . . . . 0.0 110.389 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.7 m -73.85 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.78 -38.7 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.2 tp10 -61.89 -53.3 57.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.8 mttt -61.3 -42.23 98.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.281 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -54.84 -42.84 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.55 83.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 24' ' ' GLU . 89.5 t -61.51 -43.18 96.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.925 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.544 HG23 ' HG3' ' A' ' 53' ' ' GLU . 77.2 mt -63.56 -45.81 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.965 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.9 -34.47 78.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.153 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.29 86.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.0 -55.65 32.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.711 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -58.31 -32.12 68.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.72 -29.47 62.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -105.46 -30.12 9.77 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.89 -177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.578 HD13 ' HG2' ' A' ' 143' ' ' PRO . 36.2 mm -67.62 -40.67 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.591 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.42 -10.57 19.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.368 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -150.64 -35.4 0.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.623 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.91 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.826 -175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -61.13 -30.26 70.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.257 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.1 -57.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -67.41 -22.24 65.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 44.6 t80 -62.68 -54.95 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 HD21 ' HD3' ' A' ' 69' ' ' ARG . 88.2 mt -65.49 -38.01 88.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.576 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.544 ' HG3' HG23 ' A' ' 29' ' ' ILE . 36.0 tt0 -59.87 -44.7 94.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.841 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -66.21 -31.67 72.64 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.108 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 22.3 mt-30 -63.83 -53.19 54.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.531 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG21 ' SD ' ' A' ' 16' ' ' MET . 10.8 p -69.0 -36.64 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.78 -41.23 97.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.13 -33.75 76.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.525 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.12 14.47 20.57 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.666 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.17 -40.47 90.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.276 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 65' ' ' GLU . 30.3 pt -135.28 154.67 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -95.22 -175.47 3.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.454 ' HE1' HG11 ' A' ' 28' ' ' VAL . 17.0 mmt -68.83 -33.46 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -173.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 78.8 tttt -54.36 -53.12 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 0.0 109.794 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.41 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 16.8 tp10 -67.08 -39.96 86.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.782 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.71 -48.67 79.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.28 -44.29 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.992 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' HB2' HG12 ' A' ' 128' ' ' VAL . 23.7 ttp85 -60.05 -44.49 94.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.277 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HD3' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.36 -39.91 92.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.205 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.1 -49.75 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.401 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -76.34 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 9.9 ttpp -90.8 4.99 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.505 . . . . 0.0 110.467 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -77.42 142.6 67.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.239 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.91 -31.82 75.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.324 2.683 . . . . 0.0 112.418 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.3 -41.12 98.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.591 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -74.0 -24.3 59.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.154 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HA ' HD22 ' A' ' 120' ' ' LEU . 40.1 ttt180 -80.34 -29.99 38.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.029 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -85.13 -37.74 19.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.605 ' HA ' ' HD1' ' A' ' 84' ' ' PHE . 54.3 m-85 67.8 -61.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.782 0.676 . . . . 0.0 111.95 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.82 -33.67 73.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.936 0.494 . . . . 0.0 112.218 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -96.02 -49.03 0.25 Allowed Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 33.9 Cg_exo -62.54 -33.81 77.27 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.1 1.867 . . . . 0.0 112.694 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.605 ' HD1' ' HA ' ' A' ' 80' ' ' PHE . 89.0 m-85 -106.18 166.06 10.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -74.73 148.4 7.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.401 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -51.9 -37.87 54.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.839 -178.594 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 m -63.54 -31.16 72.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.898 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -85.92 -34.34 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.93 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.487 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 123' ' ' LEU . 44.2 tp -59.33 -51.41 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.61 -43.05 93.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.464 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.5 -38.39 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.923 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.38 81.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.528 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -57.84 -46.71 84.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.097 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -65.02 -28.32 69.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -83.77 -35.36 24.41 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.945 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.442 HD13 HD13 ' A' ' 127' ' ' LEU . 71.8 mt -94.25 -50.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.622 -175.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.6 mt -89.87 -12.71 38.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 110.548 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.78 0.66 89.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.669 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -154.36 150.63 28.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.79 -178.32 40.62 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.939 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -61.15 150.77 82.88 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.074 2.516 . . . . 0.0 112.552 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -95.0 -38.26 10.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.213 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -130.3 155.5 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.06 -21.35 59.05 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.773 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -61.99 -43.01 99.75 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.04 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.275 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.6 t -58.27 -59.2 3.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.19 -36.72 78.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.403 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.43 -51.79 68.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -83.51 -19.69 35.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.535 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -67.49 -34.55 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.2 t -64.53 -42.94 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.38 -45.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.95 -24.25 22.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.185 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.3 m -84.54 -27.31 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.334 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.4 t -97.28 -63.68 1.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.12 -33.98 38.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.3 179.57 20.13 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.287 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 37.4 tp -62.23 -48.29 88.0 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.496 -0.288 . . . . 0.0 111.694 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.9 Cg_exo -55.51 -33.28 85.83 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.984 1.789 . . . . 0.0 112.5 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.49 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 90' ' ' LEU . 59.1 tp -61.18 -48.22 82.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.082 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 71' ' ' ALA . 84.5 t -57.38 -44.2 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.452 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.06 -49.79 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.794 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.41 -33.27 73.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.733 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.442 HD13 HD13 ' A' ' 97' ' ' ILE . 93.3 mt -81.96 -42.76 18.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.565 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 68' ' ' ARG . 99.8 t -74.67 -35.96 39.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.074 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 29.8 t70 -87.29 14.89 7.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.77 0.795 . . . . 0.0 110.337 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -72.89 106.56 4.86 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -68.27 -11.99 60.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.274 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.42 -51.51 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.544 0.688 . . . . 0.0 109.226 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -66.79 -41.39 87.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.964 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.52 ' O ' ' HA2' ' A' ' 138' ' ' GLY . . . -67.5 -24.1 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.774 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.68 -48.32 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.004 0.43 . . . . 0.0 111.077 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -65.69 -49.93 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.486 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -98.36 -41.55 7.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 134' ' ' ALA . . . 107.87 146.43 12.51 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.081 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 9.8 pt-20 -77.07 -5.07 47.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.128 0.49 . . . . 0.0 110.717 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -84.06 -15.57 46.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.67 176.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.5 m -90.47 140.62 29.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.337 -169.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.36 121.84 68.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.43 172.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.578 ' HG2' HD13 ' A' ' 36' ' ' ILE . 9.2 Cg_endo . . . . . 0 C--O 1.233 0.241 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HB3' HG12 ' A' ' 28' ' ' VAL . 97.2 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.77 144.07 30.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.799 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 13.2 mmt -100.39 105.14 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -135.3 147.29 61.52 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.812 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.65 107.61 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.435 2.09 . . . . 0.0 111.03 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 55.48 0.13 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.79 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.25 156.95 45.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.525 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 5.8 m -81.92 162.21 22.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.357 177.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.31 83.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.73 -36.33 83.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 45.5 mt-10 -66.13 -48.14 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.14 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' O ' HG13 ' A' ' 29' ' ' ILE . 94.7 mttt -62.43 -42.37 99.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.753 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.48 -41.5 76.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.8 81.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.535 HG12 ' HB3' ' A' ' 14' ' ' TYR . 64.7 t -67.3 -48.23 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 25' ' ' LYS . 59.6 mt -57.97 -48.69 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.346 -176.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 93.3 mttt -68.85 -32.74 72.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.218 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.38 -50.83 72.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.935 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 49.5 m-85 -53.54 -43.1 68.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 76.5 mtt180 -60.99 -47.37 86.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.026 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -89.54 -25.32 21.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.4 mm -69.42 -44.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.75 -6.36 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.412 -178.355 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.627 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 81.4 p -167.81 -146.68 0.07 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.757 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 67.51 -83.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.506 0.722 . . . . 0.0 110.598 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -67.98 -33.28 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.627 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 56.6 mt -68.05 -47.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.462 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.532 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 9.1 p -70.82 -21.78 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.0 t80 -63.01 -49.8 73.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -37.77 85.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.092 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -56.73 -45.34 81.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.009 175.32 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.2 m -73.26 -25.93 60.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 16.4 mm100 -64.83 -47.13 79.11 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.733 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.89 -30.92 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.601 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.468 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.3 ttp180 -68.1 -33.99 75.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.114 0.483 . . . . 0.0 110.269 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.46 -30.83 70.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.06 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.3 13.17 56.4 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.3 -37.25 66.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 110.125 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 pt -114.73 156.62 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.396 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.5 p -87.32 166.45 14.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.799 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 1.9 tpt -62.09 -36.33 81.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.255 0.55 . . . . 0.0 109.855 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.829 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 32.2 tptt -64.02 -49.09 73.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.871 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.03 -35.39 80.42 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 64.3 t80 -59.66 -45.88 90.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.365 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.1 t -59.43 -44.22 92.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 176.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HD3' ' HB ' ' A' ' 128' ' ' VAL . 9.4 ttp180 -61.06 -46.84 89.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.955 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -62.63 -30.57 71.45 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.8 mt -71.44 -53.0 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.3 -12.6 60.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.863 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.576 ' HG3' ' HA ' ' A' ' 121' ' ' PRO . 80.3 tttt -93.52 1.59 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.46 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 63.4 m -97.94 157.39 34.66 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 111.778 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 11.5 Cg_endo -55.38 -26.25 52.14 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.809 3.006 . . . . 0.0 113.981 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.26 -42.99 96.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.659 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.533 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 65.1 t80 -72.92 -29.76 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.423 0.63 . . . . 0.0 109.566 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -67.9 -50.29 57.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.84 -54.18 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.417 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -86.56 10.35 15.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 73.8 m-85 -132.47 -65.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.32 -28.84 62.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.6 tt0 -66.65 -53.74 26.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.247 -177.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 62.6 Cg_endo -77.1 -39.89 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.678 1.586 . . . . 0.0 112.587 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 88' ' ' ARG . 66.4 m-85 -101.31 113.8 27.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.27 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.0 pt -67.9 -177.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -172.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -41.83 -54.14 3.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.759 -1.11 . . . . 0.0 113.643 -170.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -63.14 -31.78 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -173.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.5 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 72.3 mtt-85 -80.69 -36.15 32.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.7 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.716 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.22 -48.37 81.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.51 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -54.16 46.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.18 -39.32 94.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.597 -176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.99 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.97 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.406 ' HZ ' ' CD2' ' A' ' 111' ' ' TYR . 8.2 m-85 -58.37 -37.55 75.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.539 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -79.52 -15.98 56.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.876 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.3 -44.51 7.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.75 0.309 . . . . 0.0 110.98 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 124' ' ' VAL . 92.7 mt -73.8 -40.98 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.15 0.5 . . . . 0.0 111.48 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 133' ' ' TYR . 71.7 mt -116.67 -23.98 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.413 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.1 27.88 73.42 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -171.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -112.77 -76.66 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.858 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 -178.08 16.45 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.546 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.91 106.06 1.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.36 2.04 . . . . 0.0 111.895 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -57.37 -69.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.991 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 m -139.76 179.05 6.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.427 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 105' ' ' ARG . 17.2 ptt180 -57.48 -45.55 84.73 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -172.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.67 -34.73 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.054 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 6.0 mp0 -63.24 -44.56 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 104' ' ' SER . 97.6 t -57.23 -56.23 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.419 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.954 -176.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.06 -57.56 12.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.71 0.29 . . . . 0.0 111.127 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 83.4 m-85 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.434 -175.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.2 -38.98 91.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 110.04 174.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.0 m -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -45.71 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.737 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.509 ' O ' ' HA2' ' A' ' 119' ' ' GLY . 8.4 p -72.92 -18.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.985 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -84.99 -43.25 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.721 0.296 . . . . 0.0 110.243 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -72.55 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.66 -44.1 4.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.959 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . 114.23 -165.22 12.04 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.983 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.45 -49.03 96.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 82.6 Cg_exo -48.67 -40.16 38.18 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 122.125 1.883 . . . . 0.0 112.681 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.66 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.772 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.121 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.419 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 93.2 t -62.15 -43.13 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.931 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.61 -35.24 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 64.6 t -83.95 -40.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.784 -0.367 . . . . 0.0 111.911 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.44 -17.83 60.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 t -67.39 127.39 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -56.74 -36.51 69.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.695 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.9 mp0 -59.58 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.592 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 35.3 m-85 -74.77 -23.02 58.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.876 -177.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.829 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -75.36 -44.64 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.99 -58.99 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.872 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.35 -34.33 76.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.779 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.592 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 93.4 m-85 -96.22 3.21 53.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 135.92 0.88 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.151 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 9.3 pt-20 -104.72 -15.9 15.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 174.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.11 -43.99 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 8.0 m -88.1 147.85 24.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.173 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.437 HG22 ' SD ' ' A' ' 63' ' ' MET . 15.3 t -73.55 128.48 87.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.346 0.409 0 C-N-CA 122.897 2.398 . . . . 0.0 112.776 -177.812 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 28' ' ' VAL . 91.2 m-85 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . . . -147.26 142.81 27.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.104 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mmt -82.41 98.65 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 111.205 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HE3' ' HB3' ' A' ' 15' ' ' ALA . 89.4 mttt -122.71 137.04 27.33 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.41 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.4 Cg_exo -71.45 113.29 3.57 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.837 2.358 . . . . 0.0 110.926 171.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.7 -0.81 5.9 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.08 156.24 18.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.681 0.277 . . . . 0.0 110.413 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -67.84 157.35 35.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.185 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.19 95.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.895 0.378 . . . . 0.0 110.978 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.44 -31.1 71.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 28' ' ' VAL . 7.2 tp10 -67.55 -48.81 65.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.64 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.33 -44.49 84.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.292 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.09 -41.64 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.77 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.808 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 24' ' ' GLU . 58.1 t -56.34 -44.29 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.553 HG22 ' HG2' ' A' ' 53' ' ' GLU . 63.5 mt -63.87 -51.25 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.589 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.5 -31.51 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.81 0.338 . . . . 0.0 110.641 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.98 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.63 -47.67 82.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.406 ' HD1' ' HE2' ' A' ' 37' ' ' PHE . 44.8 m-85 -61.05 -44.65 97.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -53.77 -45.05 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.527 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -87.82 -44.01 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.369 -0.378 . . . . 0.0 112.007 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.496 HD13 HG23 ' A' ' 67' ' ' VAL . 20.6 mt -70.38 -43.24 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.599 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' HE2' ' HD1' ' A' ' 33' ' ' TYR . 92.6 m-85 -84.27 -9.06 58.81 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.031 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 N--CA 1.466 0.333 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.928 175.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.592 0.234 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 m 68.64 146.49 0.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.417 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -81.74 -25.24 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.008 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 t -65.09 -39.2 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.255 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -67.56 -41.02 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 p -74.08 -26.14 60.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.674 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.12 -40.17 96.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.281 0.562 . . . . 0.0 109.658 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 48' ' ' SER . 69.1 mt -63.8 -38.39 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.799 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.553 ' HG2' HG22 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -63.19 -49.69 73.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.55 177.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -51.32 -42.63 61.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.65 -46.31 83.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.979 -178.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.21 -29.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.657 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -47.7 80.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.044 0.45 . . . . 0.0 109.983 175.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.1 -29.39 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.141 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.7 27.99 11.94 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.021 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.79 -35.71 38.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 pt -116.6 149.26 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.626 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -76.98 165.15 25.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.569 ' SD ' HG22 ' A' ' 142' ' ' VAL . 2.5 ttm -71.32 -28.12 63.87 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.178 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HE2' ' NH2' ' A' ' 68' ' ' ARG . 1.4 tmtp? -63.53 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.11 -45.75 76.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 110.127 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.03 -48.17 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.12 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG23 HD13 ' A' ' 36' ' ' ILE . 78.0 t -59.73 -47.37 91.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.123 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.495 ' HD3' ' OD1' ' A' ' 125' ' ' ASP . 11.7 ttm-85 -61.59 -39.42 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.281 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' HD22 ' A' ' 52' ' ' LEU . 19.2 ttm180 -72.2 -36.3 69.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.802 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.48 -40.69 63.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.048 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.21 -17.53 59.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.524 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.673 ' HD2' ' HB2' ' A' ' 125' ' ' ASP . 44.6 mtpt -103.04 17.58 23.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.636 0.255 . . . . 0.0 110.846 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -74.39 151.84 87.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.353 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.58 -33.91 80.65 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.85 2.367 . . . . 0.0 112.095 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.8 tp -67.53 -49.85 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.962 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.73 -37.08 86.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.379 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.516 ' HA ' HD22 ' A' ' 120' ' ' LEU . 75.9 ttt180 -67.71 -29.97 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.925 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -77.85 -17.49 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.229 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 15.3 mm100 -95.94 143.08 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.688 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.453 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 70.3 m-85 68.39 -60.44 0.42 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.658 0.783 . . . . 0.0 112.88 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.485 ' HB2' HD23 ' A' ' 120' ' ' LEU . 82.5 t80 -62.94 -33.02 74.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.708 0.29 . . . . 0.0 111.749 -174.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.4 tm-20 -78.3 -57.68 0.88 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.392 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 46.9 Cg_endo -69.81 -39.44 6.41 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.852 1.701 . . . . 0.0 113.65 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 99.1 m-85 -97.41 165.13 12.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.765 0.317 . . . . 0.0 110.695 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -77.27 149.13 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.302 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -52.85 -36.6 59.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.886 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -64.47 -22.28 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.728 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.64 -36.74 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.8 86.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.385 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.434 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 48.0 tp -56.74 -50.93 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.87 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.82 -46.49 89.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.54 -40.32 96.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.64 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.36 69.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.026 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.468 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 30.5 m-85 -56.24 -45.39 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.52 -37.28 77.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.752 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -76.75 -30.79 56.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -96.08 -48.78 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.678 0.275 . . . . 0.0 111.598 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.45 -25.99 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.444 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.43 5.04 59.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.913 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -138.42 -70.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.321 0.582 . . . . 0.0 110.615 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 141.94 -149.55 21.26 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -174.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HB3' HG23 ' A' ' 108' ' ' VAL . 15.9 Cg_exo -69.52 132.03 22.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.752 2.302 . . . . 0.0 112.152 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -81.3 -39.76 24.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.483 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 108' ' ' VAL . 64.6 p -146.41 163.95 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.559 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -72.81 -21.86 60.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.791 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -75.65 -36.9 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.96 -39.56 90.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 104' ' ' SER . 94.5 t -55.51 -52.23 49.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.288 174.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.63 -35.32 80.63 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.67 -177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -61.76 -47.85 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.1 m-85 -81.58 -19.56 41.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.378 . . . . 0.0 110.056 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -71.31 -29.52 65.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.916 0.389 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.9 mt -68.53 -50.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.99 -23.59 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.3 t -84.83 -18.63 34.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.603 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.8 t -85.59 -50.21 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.96 -37.17 2.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.542 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.33 -165.58 13.73 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.537 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 36.9 tp -60.34 -49.42 90.52 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.477 -0.297 . . . . 0.0 111.647 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 71.5 Cg_exo -51.61 -39.08 66.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.086 1.857 . . . . 0.0 112.77 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.7 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.51 -52.04 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.2 t -58.91 -46.89 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.053 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.673 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 23.1 t70 -58.83 -47.33 85.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.614 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.22 75.84 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 111.368 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.01 -54.78 15.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.413 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 53.6 t -66.41 -35.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.0 111.022 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.71 -37.57 76.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.036 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.1 p -46.33 124.01 5.33 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 112.514 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.5 mm100 -72.51 -19.39 61.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.68 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.83 -52.42 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.4 -38.49 84.76 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.833 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -64.83 -32.67 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.748 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -80.57 -30.78 36.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -75.26 -47.25 28.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.263 -176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.18 -40.25 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 111.517 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.97 174.55 19.66 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.116 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 12.6 pt-20 -90.71 -9.78 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.337 0.589 . . . . 0.0 110.104 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.523 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 7.2 pt-20 -99.98 -32.52 10.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.933 -171.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.9 m -81.02 145.52 31.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.551 -172.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.569 HG22 ' SD ' ' A' ' 63' ' ' MET . 45.5 t -71.35 116.62 49.07 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 171.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.976 2.451 . . . . 0.0 111.946 179.579 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.24 155.95 41.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.761 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.466 ' HE3' HG22 ' A' ' 56' ' ' VAL . 19.3 mmt -83.04 109.84 17.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 0.0 109.854 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 39.9 mtmt -101.01 149.69 36.44 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 -173.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.38 108.86 1.26 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.471 2.114 . . . . 0.0 111.65 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.35 43.93 23.67 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.588 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -95.89 151.62 19.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 110.66 179.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -74.87 159.61 31.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.073 0.463 . . . . 0.0 111.6 -170.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.57 77.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.278 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.39 -47.18 85.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.188 0.518 . . . . 0.0 110.359 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 28' ' ' VAL . 29.2 mt-10 -60.48 -44.66 95.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.668 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.6 ttmt -63.62 -47.37 81.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.299 -1.318 . . . . 0.0 111.698 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.65 -45.19 81.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 0.0 110.756 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.79 -43.31 94.49 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.138 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.482 HG11 ' HE3' ' A' ' 63' ' ' MET . 90.9 t -67.13 -43.41 88.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 25' ' ' LYS . 76.8 mt -60.01 -48.8 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 30' ' ' LYS . 9.0 mtpm? -65.09 -37.51 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.719 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.53 87.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.563 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.08 82.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.635 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -64.51 -36.16 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.78 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.727 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.6 mtp85 -75.35 -9.19 58.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -104.41 -44.38 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.072 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.13 -53.44 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.076 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.49 -5.89 28.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.599 . . . . 0.0 109.856 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.727 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 40.2 mt-10 . . . . . 0 C--O 1.234 0.284 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.96 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' HB3' HG12 ' A' ' 49' ' ' ILE . 46.6 t -127.57 147.31 50.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.698 0.285 . . . . 0.0 110.236 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.51 -29.05 68.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 0.0 110.589 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 43.8 m -57.33 -37.33 72.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.331 175.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 46' ' ' SER . 50.6 mm -68.53 -41.47 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.135 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.0 m -60.83 -35.54 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 48.8 t80 -69.89 -41.48 74.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.112 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 48' ' ' SER . 97.2 mt -61.82 -43.26 99.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.92 -46.88 78.34 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.306 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -61.22 -39.39 90.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.224 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 47.3 mt-30 -65.85 -46.55 78.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 0.0 111.438 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG22 ' HE3' ' A' ' 16' ' ' MET . 8.0 p -73.52 -24.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.063 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -69.14 -33.49 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.928 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -91.7 0.4 57.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.873 0.368 . . . . 0.0 110.678 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 23.69 77.73 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.284 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.97 -34.16 57.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 0.0 109.81 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.7 pt -123.93 145.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.101 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.8 p -74.33 170.36 15.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.482 ' HE3' HG11 ' A' ' 28' ' ' VAL . 4.7 mmt -66.62 -32.78 74.33 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.633 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.25 -44.62 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.727 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 11.3 mm-40 -66.16 -46.82 76.07 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.947 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 38.8 t80 -54.03 -47.51 71.49 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.556 0.535 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.05 -41.81 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -61.09 -38.58 86.78 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 110.385 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.727 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 8.0 mmt85 -72.84 -38.72 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 88.5 mt -64.45 -42.07 96.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . . . -69.01 -28.19 66.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 14.7 tmtt? -77.25 -22.17 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.114 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.3 m -64.17 137.47 97.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.795 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.83 -34.99 68.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.343 2.695 . . . . 0.0 113.434 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 54.3 tp -58.03 -58.46 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.752 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 67.9 t80 -64.32 -41.38 96.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -54.29 -50.29 67.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.931 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.556 ' HG3' ' HG2' ' A' ' 82' ' ' GLU . 73.5 tttt -71.44 -32.5 68.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.811 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 28.4 mm-40 -54.24 -35.79 62.86 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 78.1 m-85 -115.64 13.17 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.601 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -109.84 -37.9 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 79.2 mm-40 -73.34 -55.47 3.64 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 11.8 Cg_endo -90.73 -4.76 4.62 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.346 2.031 . . . . 0.0 113.133 -174.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 95.6 m-85 -120.24 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.203 0.525 . . . . 0.0 111.155 -175.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.93 162.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.684 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -45.99 -49.76 15.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.201 0.6 . . . . 0.0 111.739 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -55.82 -44.81 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.108 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -82.02 -33.86 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.923 -175.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.51 86.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.076 0.465 . . . . 0.0 109.838 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.87 -46.35 90.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.392 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -59.7 -47.27 86.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.89 -29.94 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.236 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.68 -51.07 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.94 -27.85 69.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -48.29 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.451 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.43 -21.56 20.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.387 -168.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.5 mt -95.78 -62.7 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.144 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 127' ' ' LEU . 5.0 mp -84.77 -34.86 22.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.98 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.1 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.693 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -139.67 -74.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 110.565 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.13 173.51 13.41 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.739 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.0 Cg_exo -72.75 124.6 9.85 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.863 2.376 . . . . 0.0 111.772 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.0 p -73.54 -67.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.29 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.493 ' O ' HG21 ' A' ' 108' ' ' VAL . 24.1 t -145.74 173.83 11.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.934 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -53.81 -32.51 52.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.579 0.549 . . . . 0.0 112.353 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.5 -57.6 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 111.077 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' OE1' ' HD3' ' A' ' 110' ' ' LYS . 4.2 tp10 -65.59 -35.42 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.907 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 104' ' ' SER . 88.2 t -60.89 -57.14 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.164 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.77 -36.6 81.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.707 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.454 ' HD3' ' OE1' ' A' ' 107' ' ' GLU . 68.4 tttt -53.72 -51.48 63.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.434 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -83.32 -23.7 32.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -62.03 -36.45 81.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.023 0.439 . . . . 0.0 110.208 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.93 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.5 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -70.49 -25.72 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.708 -177.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 p -84.48 -46.1 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.781 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -84.42 -56.52 3.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.7 -36.72 52.98 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.243 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.16 170.57 17.0 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.56 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.3 tp -58.88 -50.04 90.15 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.726 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -57.01 -38.83 95.03 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.848 1.699 . . . . 0.0 112.287 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.95 99.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.581 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.5 HD22 ' HB ' ' A' ' 115' ' ' VAL . 39.8 tp -61.49 -53.9 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.366 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 71' ' ' ALA . 86.6 t -57.84 -43.43 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.105 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.99 -44.84 83.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.289 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.8 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.283 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.503 ' HB3' HD13 ' A' ' 98' ' ' LEU . 94.3 mt -78.97 -43.91 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.98 -44.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.707 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.29 8.66 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.2 t -53.5 121.98 8.82 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.127 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -60.41 -37.2 80.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.528 ' O ' ' HD2' ' A' ' 136' ' ' TYR . 2.0 mp0 -57.3 -56.35 22.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.823 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.476 ' CE1' ' HA ' ' A' ' 98' ' ' LEU . 84.0 t80 -56.62 -46.25 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.026 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.17 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.958 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.21 -46.66 12.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 111.151 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.528 ' HD2' ' O ' ' A' ' 132' ' ' GLU . 77.5 m-85 -70.8 -45.65 64.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.697 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -91.97 -36.34 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 111.379 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.14 130.55 5.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.478 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.68 -14.92 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.794 0.331 . . . . 0.0 111.432 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.02 -22.77 36.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.824 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.7 m -88.73 143.51 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.95 133.42 65.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 123.373 2.715 . . . . 0.0 112.158 178.41 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.52 ' HB3' HG21 ' A' ' 28' ' ' VAL . 93.0 m-85 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 17' ' ' LYS . . . -127.85 135.98 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.508 ' HE1' HG22 ' A' ' 56' ' ' VAL . 54.7 tpp -83.19 45.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.022 0.915 . . . . 0.0 108.725 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.663 ' HG3' ' HB3' ' A' ' 20' ' ' LEU . 17.0 pttm -52.01 138.52 35.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.515 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.65 113.97 1.48 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.088 2.525 . . . . 0.0 112.862 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.73 48.75 6.46 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.739 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -104.45 155.79 18.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.958 0.409 . . . . 0.0 111.578 -177.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -68.59 162.99 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.752 -168.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 -50.53 67.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.813 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.89 -40.94 81.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.1 mm-40 -58.08 -51.89 67.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.491 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 33.8 ttmt -61.75 -43.2 99.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.316 -174.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -58.74 -39.94 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.46 -38.17 74.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 24' ' ' GLU . 84.0 t -62.51 -48.68 87.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.525 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 53' ' ' GLU . 75.6 mt -63.92 -36.77 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.75 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -62.47 -45.74 91.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.65 86.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.92 -55.08 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.275 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -65.88 -29.8 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 33.5 ttt180 -79.85 -12.21 59.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 6.1 tp-100 -106.74 -45.31 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.61 0.243 . . . . 0.0 111.573 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.33 -57.14 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' HE2' HD22 ' A' ' 70' ' ' LEU . 76.4 m-85 -99.45 0.96 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.072 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 52.6 mt-10 . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.573 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.707 0.289 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -50.9 135.61 24.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.054 0.454 . . . . 0.0 111.897 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -15.8 61.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.183 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -63.1 -32.07 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.58 -42.19 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.123 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.103 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.07 -42.62 85.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.262 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.5 mt -65.61 -42.71 91.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.802 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HG3' HG22 ' A' ' 29' ' ' ILE . 32.7 tt0 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.6 t -59.32 -41.62 89.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.78 -40.97 68.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.015 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG22 ' HE1' ' A' ' 16' ' ' MET . 10.6 p -72.41 -29.33 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.222 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -67.6 -33.5 75.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.113 0.482 . . . . 0.0 110.346 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -87.87 3.54 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.07 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.83 22.54 68.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.487 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.11 -38.99 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.294 0.569 . . . . 0.0 109.72 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -114.69 137.62 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.638 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -73.24 164.94 25.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.112 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.0 tpp -61.37 -42.73 99.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.316 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HE3' ' O ' ' A' ' 128' ' ' VAL . 83.3 tttt -54.68 -39.3 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 175.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.82 -41.11 60.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.584 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 53.0 t80 -59.75 -50.07 75.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.12 -43.18 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.695 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -56.44 -53.12 61.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.344 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -58.05 -45.45 87.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 74.4 mt -58.68 -52.91 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 111.43 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB2' HG13 ' A' ' 124' ' ' VAL . . . -75.39 -15.12 60.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.593 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -91.1 -10.53 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.11 0.481 . . . . 0.0 109.865 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -71.74 149.79 93.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.181 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 77' ' ' ARG . 66.5 Cg_exo -52.77 -25.6 27.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.329 2.686 . . . . 0.0 113.114 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.83 86.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -81.31 -23.34 37.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.293 0.568 . . . . 0.0 110.058 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.5 ' HA ' HD23 ' A' ' 120' ' ' LEU . 74.3 mtp180 -70.48 -23.05 62.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.178 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -93.82 -64.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.67 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 19.8 mt-30 -78.75 143.85 35.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.033 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 76.5 m-85 73.35 4.87 4.94 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.923 0.764 . . . . 0.0 111.757 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.48 -66.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.45 -49.88 90.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.22 9.34 1.8 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.732 1.621 . . . . 0.0 113.012 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.53 160.25 32.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.24 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.12 154.72 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.61 -37.76 42.07 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -69.86 -25.56 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.346 . . . . 0.0 111.541 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -81.57 -45.39 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.484 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -29.7 71.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.762 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.505 HD11 HD21 ' A' ' 123' ' ' LEU . 23.0 tp -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.806 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.08 -38.81 86.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.885 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.11 -44.61 94.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.62 68.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.798 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 16.3 m-85 -58.06 -40.85 82.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.545 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -68.49 -27.76 66.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -86.03 -22.6 27.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.478 HD11 HG11 ' A' ' 124' ' ' VAL . 72.1 mt -101.72 -59.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.679 -176.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.2 mt -93.92 -26.18 16.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.109 0.48 . . . . 0.0 110.715 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.28 10.77 61.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.84 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 2.0 tpm_? -155.85 130.68 9.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.44 ' HA2' ' CB ' ' A' ' 94' ' ' PHE . . . -84.67 169.02 44.41 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' HB2' HG23 ' A' ' 108' ' ' VAL . 36.9 Cg_endo -64.66 145.36 86.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.841 2.361 . . . . 0.0 111.82 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -121.71 -30.77 4.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.801 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 108' ' ' VAL . 15.1 m -94.13 149.05 21.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.678 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.93 -45.14 82.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.268 -0.173 . . . . 0.0 111.196 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.81 -40.76 85.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.835 0.826 . . . . 0.0 109.586 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.92 -51.07 66.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.75 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 104' ' ' SER . 75.3 t -58.32 -49.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.35 -41.29 84.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.559 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 114' ' ' ILE . 66.0 tttm -58.6 -51.7 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -75.36 -31.3 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.89 -37.12 85.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 0.0 110.317 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.2 m -71.62 -27.99 63.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.779 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 110' ' ' LYS . 85.2 mt -70.96 -51.25 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 120' ' ' LEU . 14.9 p -66.77 -31.64 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.707 -176.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.2 p -78.94 -35.69 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.84 0.352 . . . . 0.0 111.579 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 m -86.44 -44.77 11.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.685 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.22 -15.4 32.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.05 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.5 168.41 30.05 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 39.5 tp -59.18 -49.78 91.16 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 14.7 Cg_endo -57.33 -23.72 56.23 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.401 2.068 . . . . 0.0 113.037 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.66 -43.68 25.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.52 HD23 ' HB ' ' A' ' 115' ' ' VAL . 30.7 tp -58.61 -50.48 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.391 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 97' ' ' ILE . 77.8 t -61.75 -43.74 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.88 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 121' ' ' PRO . 1.9 t70 -60.41 -44.16 96.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.535 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.38 97.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.141 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.34 -49.85 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.542 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.576 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 59.3 t -68.8 -34.49 64.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 111.257 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.13 -31.96 71.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.0 p -50.11 131.82 23.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.331 0.586 . . . . 0.0 112.356 -171.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.98 -32.26 73.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.049 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.43 -51.67 61.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.337 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.518 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 55.5 t80 -64.98 -52.74 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.97 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.447 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . . . -61.17 -42.94 99.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.79 -41.73 18.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -77.39 -33.11 55.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.753 0.311 . . . . 0.0 111.28 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.518 ' HD1' ' HA ' ' A' ' 133' ' ' TYR . 91.6 m-85 -102.95 -41.33 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.247 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 120.39 135.91 5.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.079 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -7.89 47.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.218 0.533 . . . . 0.0 111.147 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.55 -14.14 15.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.026 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.5 m -90.09 142.64 27.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.2 130.28 91.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.8 Cg_exo . . . . . 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.313 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HB3' HG12 ' A' ' 28' ' ' VAL . 78.4 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -133.56 138.4 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.587 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 tpp -82.33 86.63 6.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' HE3' HD21 ' A' ' 20' ' ' LEU . 53.4 pttt -117.07 136.1 23.24 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.62 120.12 7.82 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.708 2.272 . . . . 0.0 111.483 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.81 -21.67 4.17 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.493 HD21 ' HE3' ' A' ' 17' ' ' LYS . 83.5 mt -79.59 148.55 31.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.627 0.251 . . . . 0.0 110.407 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -84.51 171.18 12.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -22.47 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.62 -50.42 37.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.7 mp0 -61.9 -45.08 95.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.299 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.45 -38.38 77.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -58.62 -44.37 89.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.11 77.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.355 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HB3' ' A' ' 14' ' ' TYR . 87.2 t -62.0 -52.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 110.74 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.525 HG21 ' HG3' ' A' ' 53' ' ' GLU . 38.8 mt -67.48 -35.77 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.482 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.29 -44.6 88.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.961 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.92 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.729 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HG23 ' A' ' 29' ' ' ILE . 46.8 m-85 -59.57 -40.37 87.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.015 177.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -67.88 -52.04 41.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.038 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.17 -32.73 74.03 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.675 ' HA ' ' HE2' ' A' ' 96' ' ' HIS . 58.2 mt -91.38 -43.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' HE2' HD12 ' A' ' 70' ' ' LEU . 79.8 m-85 -107.77 -31.87 7.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.93 -172.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 t 56.8 -84.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.894 0.878 . . . . 0.0 113.315 170.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.29 -34.0 77.12 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 -171.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -66.59 -26.37 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.511 . . . . 0.0 110.333 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -73.79 -54.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.383 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.5 -31.33 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.5 t80 -58.44 -56.68 19.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.083 176.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.76 -37.06 85.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG3' HG21 ' A' ' 29' ' ' ILE . 35.3 tt0 -57.56 -46.79 83.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -67.74 -38.36 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 17.7 mm100 -62.43 -41.2 98.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.323 . . . . 0.0 111.214 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.37 -25.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -68.63 -43.48 76.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.209 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.01 -37.45 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.456 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.05 17.42 7.31 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.817 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -36.76 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -128.95 149.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.192 174.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 t -89.84 -179.85 5.82 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 38.3 tpp -64.24 -28.25 69.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 109.738 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 80.1 tttt -57.43 -46.36 83.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.459 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 4.3 mp0 -74.84 -39.14 61.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.4 t80 -60.17 -56.93 15.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 36' ' ' ILE . 89.0 t -61.96 -43.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 21.4 ttp180 -61.45 -43.6 98.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.344 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -71.44 -33.51 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.2 mt -69.76 -40.16 76.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 110.619 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 124' ' ' VAL . . . -73.73 -21.28 60.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 62.7 pttt -108.57 20.43 18.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 0.0 110.476 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -73.51 157.73 87.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -25.41 70.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 111.974 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.9 tp -72.2 -46.43 56.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.458 ' HD2' HD23 ' A' ' 120' ' ' LEU . 10.7 t80 -70.31 -20.01 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.397 0.618 . . . . 0.0 109.787 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -80.8 -41.67 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.225 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 62.7 mmtt -76.13 -41.51 49.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -90.04 174.32 7.71 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 169.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.635 ' HE1' ' HB3' ' A' ' 92' ' ' LEU . 77.0 t80 65.89 -70.71 0.09 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.41 -29.42 64.89 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.787 0.435 . . . . 0.0 111.625 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.602 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 9.9 tp10 -88.27 -53.96 0.35 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 24.1 Cg_exo -64.09 -33.71 60.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.054 1.836 . . . . 0.0 112.824 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -105.34 157.69 17.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.085 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.6 tt -77.06 149.39 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.246 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -52.18 -38.7 58.55 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.1 p -59.97 -49.88 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 110.848 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -67.68 -35.96 79.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.132 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.815 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.483 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 25.0 tp -57.13 -44.22 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.306 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.13 -49.07 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.635 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 5.4 tt -64.53 -40.28 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.05 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 13.7 m-85 -57.9 -38.2 75.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.479 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -83.21 -18.04 40.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.566 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.675 ' HE2' ' HA ' ' A' ' 36' ' ' ILE . 3.2 t-160 -85.59 -30.15 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.918 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.482 HD13 HD12 ' A' ' 127' ' ' LEU . 74.2 mt -102.24 -47.88 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.91 0.386 . . . . 0.0 111.227 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD12 HD21 ' A' ' 127' ' ' LEU . 52.3 mt -100.18 -17.29 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 -175.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.89 18.32 68.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.804 -175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 100' ' ' ARG . 5.1 tpp180 -97.8 -79.51 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 0.0 111.45 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.16 143.69 12.14 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.76 116.83 3.44 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.979 2.453 . . . . 0.0 112.574 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -115.07 -21.58 9.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.003 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 m -128.07 147.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.698 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -69.49 -35.95 76.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.681 0.276 . . . . 0.0 110.302 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.2 -44.49 97.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.3 -49.49 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.552 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 104' ' ' SER . 61.8 t -57.41 -56.49 14.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.817 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.58 -37.69 79.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.844 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -57.44 -57.62 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 110.911 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -78.43 -25.54 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.73 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -62.37 -39.66 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.04 0.448 . . . . 0.0 109.893 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -66.64 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.381 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.12 -48.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -73.52 -20.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.5 t -79.46 -23.86 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.858 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 p -99.74 -63.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.782 0.325 . . . . 0.0 111.596 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -87.68 -6.77 76.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.613 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.45 -167.12 42.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.613 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 54.1 tp -58.66 -49.8 91.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 10.2 Cg_endo -51.63 -41.64 60.26 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.433 2.088 . . . . 0.0 112.908 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.83 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.7 0.286 . . . . 0.0 110.81 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.77 -50.87 69.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.609 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 71' ' ' ALA . 80.8 t -57.73 -48.01 84.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.769 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.6 -47.08 86.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.01 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 111.611 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.52 HD21 HD12 ' A' ' 98' ' ' LEU . 95.1 mt -74.46 -45.02 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.576 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 42.5 t -83.15 -37.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.543 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 34.3 t70 -77.71 -22.49 50.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.5 p -58.7 149.01 27.27 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.155 0.502 . . . . 0.0 111.716 -175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -71.63 -38.99 70.71 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.495 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.95 -58.08 9.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.331 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 30.5 m-85 -74.01 -23.11 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.868 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.99 -53.95 49.23 Favored 'General case' 0 CA--C 1.522 -0.104 0 O-C-N 123.49 0.494 . . . . 0.0 111.152 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -82.85 -22.41 34.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.821 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 87.2 t80 -64.93 -52.72 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 98' ' ' LEU . 83.3 m-85 -87.08 -40.93 14.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.995 0.426 . . . . 0.0 110.678 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.97 102.67 2.57 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.3 pt-20 -69.45 -4.47 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.037 0.446 . . . . 0.0 111.874 -176.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -89.4 -26.77 20.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 11.4 m -97.57 157.4 16.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.618 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.85 121.86 86.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.258 -178.743 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.027 0.441 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.8 133.01 37.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.84 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.573 ' SD ' HG21 ' A' ' 56' ' ' VAL . 43.6 ttm -102.43 114.77 29.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.916 0.389 . . . . 0.0 110.34 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 7.7 ptmm? -134.08 148.96 70.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.018 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.25 117.32 4.02 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.916 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.24 -19.04 5.46 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.031 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HG ' ' HG2' ' A' ' 17' ' ' LYS . 86.6 mt -76.96 155.64 32.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.4 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 39.6 t -73.73 157.99 35.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.898 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.21 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.889 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 28' ' ' VAL . 27.3 mm-40 -64.45 -45.36 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.974 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 29' ' ' ILE . 98.6 mttt -62.18 -47.06 86.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.513 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.62 -33.79 74.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.166 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.78 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.342 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 24' ' ' GLU . 83.8 t -65.12 -42.56 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.504 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' A' ' 53' ' ' GLU . 61.1 mt -62.73 -42.07 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.499 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -61.57 -42.27 98.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.383 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 35' ' ' GLN . . . -62.7 -39.82 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.731 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.38 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -61.84 -50.73 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.282 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.8 mtp85 -63.37 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.075 -178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 11.0 mm100 -80.56 -38.16 30.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.502 HD11 HG23 ' A' ' 67' ' ' VAL . 51.9 mt -89.18 -45.6 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.45 -21.88 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.465 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.5 mt-10 . . . . . 0 N--CA 1.466 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' HB2' HD13 ' A' ' 49' ' ' ILE . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -67.14 179.41 1.19 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.431 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 70.54 -60.41 0.5 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.196 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -62.21 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 45' ' ' TYR . 68.5 mt -61.38 -53.97 41.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 p -66.28 -29.78 70.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.794 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.575 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 41.8 t80 -60.65 -57.16 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.25 -37.1 86.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.458 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.438 ' HG3' HG21 ' A' ' 29' ' ' ILE . 24.2 tt0 -55.14 -57.54 11.34 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.478 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 57' ' ' ARG . 19.5 p -61.43 -30.06 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 25.8 mt-30 -61.18 -54.22 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.573 HG21 ' SD ' ' A' ' 16' ' ' MET . 11.6 p -75.42 -32.91 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.196 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.45 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 67.0 ttt180 -61.64 -28.65 69.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.626 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -101.23 4.78 42.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 111.204 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.0 30.41 65.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.405 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.73 -27.91 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.677 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 47.3 pt -132.33 145.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.438 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -72.24 167.11 21.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.45 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.58 ' SD ' HG23 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -53.76 -39.96 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.682 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 79.9 tttt -47.79 -51.8 21.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.299 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.677 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.3 mm-40 -69.15 -33.66 73.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.25 -45.67 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 36' ' ' ILE . 69.7 t -62.34 -47.17 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.624 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 84.1 mtp180 -55.87 -50.94 69.24 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -76.28 -23.21 54.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.913 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.77 -47.59 52.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.439 ' HB2' HG12 ' A' ' 124' ' ' VAL . . . -82.0 -4.29 56.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.051 0.453 . . . . 0.0 111.159 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -106.69 4.31 27.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.271 0.558 . . . . 0.0 109.894 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.4 p -75.73 161.73 74.92 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.475 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 55.5 Cg_exo -53.8 -30.55 57.68 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.773 2.316 . . . . 0.0 112.377 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.73 -48.88 77.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -75.4 -23.48 57.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.184 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.254 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 14.3 mmmm -89.56 -64.76 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 79.3 mt-30 -71.37 162.62 29.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 81.3 m-85 69.03 -56.18 0.54 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.682 0.613 . . . . 0.0 111.828 -175.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -71.72 -41.19 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.6 tt0 -83.28 -52.67 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 31.6 Cg_endo -65.11 -10.35 25.31 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.102 1.868 . . . . 0.0 113.336 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.97 -174.62 3.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 tp -104.55 155.64 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.852 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -50.72 -45.23 58.45 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.869 0.468 . . . . 0.0 111.456 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -62.54 -29.59 70.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.643 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -81.19 -42.82 20.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.022 -178.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 92' ' ' LEU . . . -65.93 -28.64 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.631 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.92 -53.68 55.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.65 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.43 -29.21 68.63 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 89' ' ' ALA . 87.4 mt -63.26 -45.6 90.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.44 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.914 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.21 -59.84 3.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.438 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 54.3 mtm180 -65.35 -41.72 93.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.105 -173.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -80.59 -30.86 36.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.932 -171.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.74 -43.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.351 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.77 -16.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.225 -176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.22 15.5 81.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.129 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' A' ' 95' ' ' ARG . 41.7 ttp180 -146.88 156.38 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 100' ' ' ARG . . . -82.45 159.87 39.22 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.954 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.06 128.62 24.6 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.659 2.239 . . . . 0.0 111.648 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 p -102.11 -42.31 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.625 -172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 m -108.92 136.88 47.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.392 . . . . 0.0 111.224 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.51 -41.17 93.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.936 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -71.94 -22.64 61.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' ' HD1' ' A' ' 111' ' ' TYR . 5.8 tp10 -67.52 -46.37 73.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.13 -48.73 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.433 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.521 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' ' 114' ' ' ILE . 2.5 ttmp? -62.4 -58.77 6.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.287 0.565 . . . . 0.0 110.028 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.532 ' HA ' HD13 ' A' ' 114' ' ' ILE . 82.4 m-85 -68.49 -22.14 64.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.206 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.89 -42.25 90.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.174 0.511 . . . . 0.0 109.757 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -67.17 -36.99 82.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 111' ' ' TYR . 79.1 mt -62.25 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.113 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 120' ' ' LEU . 8.5 p -67.92 -21.9 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.791 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -80.06 -46.36 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.329 . . . . 0.0 111.231 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.9 p -85.96 -49.1 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.853 0.358 . . . . 0.0 111.813 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -35.36 22.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.951 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.96 178.93 19.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.197 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 55.4 tp -60.15 -51.78 77.94 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 19.4 Cg_endo -60.47 -27.74 85.41 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.016 1.811 . . . . 0.0 112.526 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.33 -42.78 71.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.703 0.287 . . . . 0.0 110.459 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 tp -56.14 -54.64 42.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.571 177.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 71' ' ' ALA . 97.2 t -60.27 -45.01 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.46 -47.04 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.66 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.92 74.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.622 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.92 -45.99 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.449 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 t -84.21 -22.82 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.137 0.494 . . . . 0.0 111.259 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.78 -21.52 62.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -52.27 122.1 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.274 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.62 -40.7 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.912 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -65.0 -47.56 77.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.393 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.86 80.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.361 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.16 -26.31 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.406 ' HD2' ' HD1' ' A' ' 137' ' ' PHE . 87.4 t80 -57.76 -52.14 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.152 -175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.672 ' HD2' ' HB ' ' A' ' 141' ' ' THR . 31.6 p90 -130.96 5.56 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.584 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.67 152.54 27.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.786 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 10.7 pt-20 -90.44 5.2 48.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.872 0.367 . . . . 0.0 110.598 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.51 -7.07 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.783 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' THR . . . . . 0.672 ' HB ' ' HD2' ' A' ' 137' ' ' PHE . 28.8 m -96.67 146.0 25.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.419 0.152 . . . . 0.0 110.911 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.58 HG23 ' SD ' ' A' ' 63' ' ' MET . 61.5 t -73.81 123.8 89.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.499 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--O 1.232 0.224 0 C-N-CA 122.611 2.207 . . . . 0.0 111.726 176.281 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 28' ' ' VAL . 39.0 m-85 . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -143.56 141.11 30.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.312 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.432 ' HE2' ' HG3' ' A' ' 25' ' ' LYS . 21.2 mmt -69.02 115.33 8.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -114.17 151.99 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.414 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.55 68.66 3.58 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.912 2.408 . . . . 0.0 112.402 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.53 36.47 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.749 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -89.08 136.73 32.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.603 -0.351 . . . . 0.0 110.215 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -73.14 163.04 28.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.94 76.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.97 -35.94 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.056 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -69.19 -43.95 73.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 179.011 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 38.5 ttmt -62.78 -39.98 95.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.224 177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.45 -40.1 93.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.227 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.8 83.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.448 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.49 HG11 ' HE3' ' A' ' 63' ' ' MET . 61.7 t -67.71 -45.14 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 HG21 ' HG3' ' A' ' 53' ' ' GLU . 54.4 mt -69.93 -39.77 77.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.778 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 4.7 ttmp? -59.17 -41.91 89.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.39 178.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.12 86.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.773 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.34 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -54.62 -43.2 72.03 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.572 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 42.3 ttm180 -65.54 -39.71 92.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.402 -173.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -88.75 -13.93 38.35 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.644 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 HG21 ' A' ' 67' ' ' VAL . 66.3 mt -92.53 -58.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.724 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -125.1 26.81 6.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.48 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.572 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.7 pt-20 . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 123.779 0.832 . . . . 0.0 111.845 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -56.15 122.43 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.088 0.47 . . . . 0.0 111.844 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.15 -21.9 65.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.066 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.509 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 31.0 t -55.33 -28.87 56.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.332 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.69 -42.3 92.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 110.344 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 5.6 t -76.14 -24.15 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.812 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.23 -36.34 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.1 mt -61.13 -38.36 86.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.077 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 50' ' ' SER . 10.7 tt0 -56.0 -45.6 78.99 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.397 174.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 m -62.87 -38.57 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -67.48 -45.0 77.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.144 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.11 -22.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 0.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.67 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 28.8 mtp180 -68.59 -42.39 78.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.693 173.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.31 -34.72 76.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.126 0.488 . . . . 0.0 110.795 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.14 35.64 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.78 -54.22 17.18 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.611 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 42.0 pt -104.6 139.97 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.007 172.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 139' ' ' GLU . 63.1 m -91.71 -177.95 4.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.49 ' HE3' HG11 ' A' ' 28' ' ' VAL . 19.6 mmt -65.65 -21.17 66.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.302 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 15.3 tptt -59.17 -47.27 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.051 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.611 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 2.3 mp0 -71.38 -47.31 56.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.9 -54.58 44.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG21 HD13 ' A' ' 36' ' ' ILE . 70.6 t -60.38 -47.83 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 111.099 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 21.2 ttp180 -61.92 -39.3 91.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.745 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.4 -34.56 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.188 -0.32 . . . . 0.0 111.52 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.51 -36.81 76.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.425 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HG2' ' HA ' ' A' ' 121' ' ' PRO . 9.7 mtmp? -91.91 8.4 37.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.271 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.2 m -74.66 144.28 80.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.74 -36.58 62.49 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.33 2.687 . . . . 0.0 113.116 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.63 -52.15 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -65.24 -42.3 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.278 0.561 . . . . 0.0 109.941 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HA ' HD21 ' A' ' 120' ' ' LEU . 40.7 ttt180 -61.0 -47.57 85.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.206 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 85.2 tttt -72.74 -19.93 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.717 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -96.37 -49.1 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.12 -17.98 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' HB2' HD22 ' A' ' 120' ' ' LEU . 92.7 t80 -117.58 -54.5 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.074 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 6.3 tp10 -49.74 -53.8 38.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 88.1 Cg_endo -91.96 14.83 1.72 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.027 1.818 . . . . 0.0 113.117 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.18 161.22 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.498 HG13 ' HG3' ' A' ' 88' ' ' ARG . 13.9 pt -74.4 144.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.886 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -62.56 -23.52 67.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 p -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.741 0.305 . . . . 0.0 111.486 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.498 ' HG3' HG13 ' A' ' 85' ' ' ILE . 73.7 mtp180 -89.25 -42.37 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.446 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -62.15 -30.24 70.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.477 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 37.6 tp -55.95 -51.01 69.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -69.77 -33.26 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.513 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 89' ' ' ALA . 97.4 mt -60.1 -41.46 92.61 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.0 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.624 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.477 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 m-85 -59.07 -39.95 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -66.15 -35.81 81.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.724 0.297 . . . . 0.0 111.368 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.4 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 1.7 t-160 -87.08 -24.14 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.501 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.423 HD11 HG12 ' A' ' 124' ' ' VAL . 80.5 mt -100.33 -46.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.594 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.31 -18.97 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -174.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.02 78.36 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.614 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -149.78 178.06 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.424 0.29 . . . . 0.0 110.268 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.83 159.24 14.5 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.999 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB2' HG23 ' A' ' 108' ' ' VAL . 2.2 Cg_endo -79.34 98.22 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.844 2.363 . . . . 0.0 111.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -83.42 -22.74 32.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.454 ' O ' HG22 ' A' ' 108' ' ' VAL . 14.5 m -85.9 121.75 28.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.22 -33.67 72.58 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -58.87 -46.47 87.73 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.051 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.19 -36.15 83.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.92 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.466 HG23 ' HB2' ' A' ' 102' ' ' PRO . 69.2 t -61.42 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.302 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.71 -36.9 75.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.156 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 83.6 m-85 -79.7 -20.92 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.31 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.05 -41.93 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.4 m -67.95 -39.77 83.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.296 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.04 -42.38 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.06 -21.31 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.746 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -80.0 -48.54 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.572 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -84.09 -45.44 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -66.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.97 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.65 -170.46 23.06 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.14 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.572 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 54.4 tp -66.53 -51.54 40.87 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.694 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.2 Cg_exo -55.11 -41.08 82.2 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.809 1.673 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.78 98.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 64.8 tp -61.12 -49.42 77.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.591 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 71' ' ' ALA . 93.9 t -57.96 -49.73 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.95 -41.48 87.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.897 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.877 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.71 -43.24 99.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 111.392 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.411 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 31.7 t -76.81 -21.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -80.71 -39.36 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.855 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 65.4 p -56.42 132.67 51.82 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.59 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 14.1 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 16.0 mm-40 -56.25 -54.48 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -82.32 -22.95 35.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 110.635 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.719 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.66 -54.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.254 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.9 -43.74 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.625 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.561 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -58.86 -54.74 43.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -175.011 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.72 -22.62 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.949 0.404 . . . . 0.0 110.725 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.5 173.38 49.79 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.805 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 62' ' ' SER . 15.1 pt-20 -102.07 -25.11 13.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.855 0.36 . . . . 0.0 110.574 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -82.09 -32.51 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.8 m -82.67 137.05 34.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.994 -171.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.448 HG21 ' HG3' ' A' ' 63' ' ' MET . 6.5 t -80.68 131.42 60.89 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 171.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo . . . . . 0 C--N 1.344 0.332 0 C-N-CA 122.737 2.291 . . . . 0.0 112.851 -179.001 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.483 0.658 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -112.81 134.63 54.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.01 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.543 ' HG2' HG22 ' A' ' 56' ' ' VAL . 51.6 tpp -73.76 98.4 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.152 0.501 . . . . 0.0 109.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -135.7 143.38 44.52 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.326 -178.074 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.6 116.83 3.53 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.559 2.173 . . . . 0.0 110.888 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.82 -19.59 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.82 145.01 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -75.64 170.69 15.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.84 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.675 0.274 . . . . 0.0 111.096 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.54 -23.48 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.0 111.282 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.71 -45.38 52.58 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 29' ' ' ILE . 95.6 mttt -62.85 -36.98 85.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.86 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.18 -43.56 70.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.754 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.08 92.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.738 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.09 -45.38 90.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.518 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 25' ' ' LYS . 46.1 mm -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.874 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.73 -34.3 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.467 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.85 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.41 -41.82 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.738 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.581 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 35.4 ttm180 -70.71 -20.09 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.641 -176.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 14.6 mm-40 -93.39 -44.61 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.39 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.19 -57.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -84.19 -16.57 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.029 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 17.6 tt0 . . . . . 0 CA--C 1.532 0.266 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.236 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 121.149 0.499 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.765 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 14.4 m -59.47 97.74 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.091 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.849 ' HG3' ' H ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -101.9 -78.28 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 168.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.849 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 3.9 m -64.15 -27.98 69.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 170.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.765 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 60.8 mt -61.54 -39.67 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.881 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -36.34 70.95 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.726 0.298 . . . . 0.0 110.499 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 84.1 t80 -60.89 -50.2 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.827 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 48' ' ' SER . 64.0 mt -59.34 -42.97 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.376 176.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -52.61 -48.42 66.33 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.983 177.293 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -77.19 -29.9 54.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.82 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.6 mm100 -64.73 -49.56 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 110.591 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 16' ' ' MET . 8.4 p -70.2 -29.74 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 30.6 ttt180 -58.71 -39.9 82.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.646 177.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -82.7 -24.92 33.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.65 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.05 28.54 6.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.894 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.75 -45.39 58.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 pt -115.4 165.3 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.3 p -84.42 163.7 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.097 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.458 ' HE2' HG21 ' A' ' 142' ' ' VAL . 7.8 tpt -66.84 -33.35 75.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 129' ' ' ASP . 72.0 tttt -55.34 -54.27 45.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.687 175.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 31.3 mm-40 -64.53 -37.62 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.754 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE2' HD13 ' A' ' 70' ' ' LEU . 38.2 t80 -56.93 -47.78 79.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.788 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 63' ' ' MET . 83.6 t -59.32 -42.83 88.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 70.8 mtp180 -59.04 -38.76 80.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 27.7 mmt180 -71.02 -42.48 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.687 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.445 HD13 ' CE2' ' A' ' 66' ' ' PHE . 81.6 mt -63.64 -45.07 91.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.03 -177.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.502 ' CB ' HG11 ' A' ' 124' ' ' VAL . . . -73.33 -24.49 60.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -84.24 -10.12 57.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 110.683 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.8 m -61.89 139.84 95.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.629 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -49.83 -33.42 32.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.89 3.06 . . . . 0.0 113.87 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.05 -51.61 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.647 0.261 . . . . 0.0 110.722 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -71.4 -31.55 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.569 . . . . 0.0 109.626 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -63.6 -30.9 71.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.421 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.49 -43.39 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.715 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.83 166.19 19.93 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.642 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 98.7 m-85 67.78 -64.93 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.058 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -68.47 -26.73 65.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.522 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.9 tm-20 -98.01 -57.4 0.17 Allowed Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.698 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 7.6 Cg_exo -74.53 -21.94 16.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.378 2.052 . . . . 0.0 113.931 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.642 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 98.8 m-85 -112.35 -179.48 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.988 0.423 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 tt -96.31 152.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.671 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -47.09 -57.47 5.04 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.509 0.723 . . . . 0.0 112.512 -172.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -59.14 -35.83 74.18 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 28.5 mmm180 -75.75 -41.27 53.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.19 94.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.957 0.408 . . . . 0.0 110.044 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 123' ' ' LEU . 40.4 tp -56.38 -51.58 67.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.761 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.21 -41.91 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.282 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 90.9 mt -67.8 -32.3 72.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.85 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.837 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -57.58 -41.65 81.53 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.81 -33.39 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.548 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.8 -22.27 34.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.479 HD11 HG12 ' A' ' 124' ' ' VAL . 83.8 mt -100.92 -57.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.027 0.441 . . . . 0.0 111.516 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.418 HD13 HD21 ' A' ' 127' ' ' LEU . 49.0 mt -100.38 -33.89 10.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 -176.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.48 -8.54 67.98 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -87.93 -55.48 3.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.015 0.436 . . . . 0.0 110.908 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.46 167.86 32.62 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.65 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.489 ' HB2' HG22 ' A' ' 108' ' ' VAL . 37.2 Cg_endo -67.07 119.36 6.38 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.437 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -96.25 -51.94 4.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.56 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 15.3 m -94.5 148.91 21.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.495 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 32.0 tpt180 -69.37 -40.68 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.594 0.235 . . . . 0.0 111.041 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.6 pm0 -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.147 0.499 . . . . 0.0 110.012 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 34.5 tt0 -61.54 -45.58 93.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 104' ' ' SER . 60.7 t -56.39 -48.48 79.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.024 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 105' ' ' ARG . 27.6 mm-40 -56.2 -45.77 79.7 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.254 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 114' ' ' ILE . 60.4 tttm -55.72 -53.83 51.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.202 -178.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 107' ' ' GLU . 93.8 m-85 -79.34 -23.2 43.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.269 -175.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -64.34 -42.09 96.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 t -63.81 -37.88 89.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 111' ' ' TYR . 84.5 mt -62.35 -50.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.089 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.488 ' HB ' HD22 ' A' ' 123' ' ' LEU . 14.3 p -73.06 -26.71 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.8 m -77.17 -29.64 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.219 -0.301 . . . . 0.0 111.611 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 p -97.68 -56.51 2.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.762 0.315 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.89 -17.84 69.15 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.552 -176.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.11 -172.44 38.32 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.537 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 53.4 tp -63.53 -50.13 74.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -55.37 -35.53 91.91 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.159 1.906 . . . . 0.0 113.053 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.62 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.533 0.206 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.494 HD23 HD13 ' A' ' 90' ' ' LEU . 45.9 tp -58.06 -52.94 63.46 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.502 HG11 ' CB ' ' A' ' 71' ' ' ALA . 88.3 t -59.36 -47.75 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.051 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.35 -40.08 95.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 130' ' ' SER . . . -60.27 -35.16 74.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.143 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 98' ' ' LEU . 95.1 mt -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.661 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.432 HG22 HG21 ' A' ' 97' ' ' ILE . 40.0 t -76.67 -35.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.6 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 38.4 t70 -85.39 -13.5 49.2 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.179 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 126' ' ' ALA . 1.1 t -62.59 120.84 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -66.52 -28.62 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -167.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.95 -37.9 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.824 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.512 ' HD2' ' HB3' ' A' ' 130' ' ' SER . 30.9 m-85 -71.3 -43.21 67.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.202 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.2 -35.97 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -73.37 -55.16 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.735 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -81.58 -33.41 31.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.0 131.66 5.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.419 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.88 -11.79 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.522 0.677 . . . . 0.0 110.097 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.75 -21.14 12.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 4.1 m -97.14 148.9 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.685 -171.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.458 HG21 ' HE2' ' A' ' 63' ' ' MET . 60.0 t -65.56 132.64 95.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 167.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo . . . . . 0 C--N 1.358 1.044 0 C-N-CA 124.805 3.67 . . . . 0.0 114.465 -174.754 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HB3' HG13 ' A' ' 28' ' ' VAL . 99.1 m-85 . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.293 0.568 . . . . 0.0 111.435 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -119.87 116.11 25.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 41.1 ttm -81.2 86.26 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.522 0.677 . . . . 0.0 110.107 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -88.38 154.1 51.21 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.168 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.38 93.46 0.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.47 2.113 . . . . 0.0 111.015 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.5 33.87 0.12 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.03 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 16' ' ' MET . 66.1 mt -118.15 140.44 49.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.0 m -73.56 170.04 16.01 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.76 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.634 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.22 -42.22 85.8 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.131 0.491 . . . . 0.0 110.764 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.1 mm-40 -65.41 -43.79 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.299 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.6 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.8 mttp -62.02 -45.32 94.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 91.4 m-20 -53.13 -42.3 65.9 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.241 0.338 . . . . 0.0 111.298 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.46 99.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.894 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 14' ' ' TYR . 45.7 t -67.23 -39.44 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.867 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 25' ' ' LYS . 68.7 mt -61.79 -42.4 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.26 0.553 . . . . 0.0 110.476 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -64.45 -32.8 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.508 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . -69.63 -30.88 68.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.905 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -46.5 83.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -63.2 -33.24 75.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.284 0.564 . . . . 0.0 110.302 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 7.9 tpm_? -63.33 -33.28 75.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.7 tp60 -105.3 -44.4 4.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mm -71.8 -35.68 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.597 -174.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' A' ' 70' ' ' LEU . 63.6 m-85 -108.03 -29.14 9.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.954 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 9.2 tp10 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.483 ' HB3' HD13 ' A' ' 49' ' ' ILE . 6.5 m-85 . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.49 0.186 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 63.7 m 81.57 101.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 166.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 54.17 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 163.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.0 m -52.54 -40.48 62.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.184 -172.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 45' ' ' TYR . 36.0 mt -65.79 -34.74 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.976 0.417 . . . . 0.0 110.824 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -77.3 -34.09 55.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.898 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -61.79 -45.0 95.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.845 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.2 mt -62.26 -38.93 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.627 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.53 -50.35 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.177 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.551 ' HA ' ' CG ' ' A' ' 57' ' ' ARG . 13.1 t -65.03 -38.38 90.7 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.66 -42.88 99.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 111.512 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.14 -25.72 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.153 -176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.551 ' CG ' ' HA ' ' A' ' 54' ' ' SER . 6.2 ppt_? -74.79 -21.93 59.04 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.004 -0.435 . . . . 0.0 111.268 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.2 -14.86 25.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.159 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.31 17.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.861 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.08 -40.82 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -114.39 153.34 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.279 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.1 p -83.35 173.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.467 ' HE2' HG11 ' A' ' 28' ' ' VAL . 4.0 mmt -63.84 -35.29 80.14 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.516 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -68.67 -28.86 67.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.166 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.751 ' HB3' HH21 ' A' ' 69' ' ' ARG . 45.4 mt-10 -77.54 -37.13 51.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.939 0.4 . . . . 0.0 110.13 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 18.7 t80 -64.02 -50.06 69.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.67 -47.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 176.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -57.79 -44.11 86.05 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.503 0.668 . . . . 0.0 110.484 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.751 HH21 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -69.38 -38.8 78.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 83.2 mt -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HB2' HG12 ' A' ' 124' ' ' VAL . . . -68.97 -27.47 65.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.043 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HZ2' ' CG ' ' A' ' 125' ' ' ASP . 47.1 mttp -81.79 6.72 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.0 p -77.99 149.37 76.71 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-O 120.847 0.356 . . . . 0.0 110.743 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.55 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 17.1 Cg_endo -59.19 -30.3 92.71 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.511 2.141 . . . . 0.0 111.295 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 1.9 mm? -63.8 -51.93 62.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.113 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -63.49 -46.98 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.28 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 77' ' ' ARG . 14.0 ptt180 -70.55 -25.37 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.224 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.0 tmtt? -70.98 -43.61 67.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.007 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 76.3 mm-40 -75.08 -14.81 60.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.48 -46.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.488 ' HB2' HD21 ' A' ' 120' ' ' LEU . 53.6 t80 -78.71 -14.55 59.23 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.48 -172.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.7 tt0 -93.15 -59.32 0.21 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 84.1 Cg_endo -80.53 3.01 8.07 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.999 1.799 . . . . 0.0 112.98 -174.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -131.34 156.11 46.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.532 HG13 ' H ' ' A' ' 88' ' ' ARG . 33.0 pt -75.23 159.32 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -55.74 -31.03 62.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -69.88 -41.46 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.03 0.443 . . . . 0.0 110.624 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' H ' HG13 ' A' ' 85' ' ' ILE . 11.1 tpp180 -73.74 -38.96 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.05 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.692 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 108' ' ' VAL . 22.4 tp -64.76 -46.27 82.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.906 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.03 -50.46 66.62 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.807 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.4 mt -63.2 -38.58 91.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.99 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.35 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 24.2 m-85 -59.96 -40.75 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.498 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 28.1 ttm-85 -83.25 -14.94 52.14 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.633 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -96.83 -39.52 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.187 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.53 -34.82 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 0.0 110.775 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.86 -40.49 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 88.22 -22.91 16.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.968 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 100' ' ' ARG . 19.4 ttt180 -66.1 -44.18 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.857 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.63 157.27 30.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.034 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HG3' ' HD2' ' A' ' 94' ' ' PHE . 51.5 Cg_exo -55.16 125.05 17.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.385 2.724 . . . . 0.0 112.398 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -123.68 -26.24 4.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.918 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.0 m -129.28 148.21 51.19 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -60.3 -56.48 20.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.991 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.5 -38.49 71.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.427 ' O ' ' HD2' ' A' ' 111' ' ' TYR . 24.5 tt0 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.83 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.508 HG12 HD21 ' A' ' 90' ' ' LEU . 93.3 t -56.9 -47.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.917 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.25 -36.63 82.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.385 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -60.6 -52.7 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 107' ' ' GLU . 96.7 m-85 -76.67 -22.57 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.24 -176.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.19 -37.88 88.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.895 0.379 . . . . 0.0 110.017 174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -42.31 94.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.887 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.64 -47.3 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.59 -20.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.743 0.306 . . . . 0.0 111.143 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 m -85.24 -53.14 5.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 111.194 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.7 t -74.8 -46.76 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.01 -175.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.57 -57.13 1.78 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.834 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.62 179.88 17.05 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.911 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.572 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 44.4 tp -64.4 -46.93 78.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.22 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.8 Cg_endo -54.68 -36.16 89.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.172 1.915 . . . . 0.0 112.264 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.4 -34.69 65.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.8 -42.91 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.79 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.487 HG12 ' HB2' ' A' ' 71' ' ' ALA . 72.8 t -58.87 -46.31 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.53 176.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.467 ' CG ' ' HZ2' ' A' ' 72' ' ' LYS . 27.8 m-20 -56.17 -47.61 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.89 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.962 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.27 -48.64 16.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.71 -20.54 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.984 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.38 -4.62 49.14 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.0 t -80.7 111.98 17.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.49 -26.66 68.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -55.91 -46.96 78.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.574 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.46 -30.74 37.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.55 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.05 95.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.73 -30.83 63.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.398 0.618 . . . . 0.0 110.255 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -64.08 -50.49 68.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.014 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.27 -41.47 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.824 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.27 172.77 17.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.877 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.22 -19.35 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.717 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -35.54 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.25 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 5.3 m -81.88 141.17 33.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.28 127.99 88.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 C--N 1.357 0.982 0 C-N-CA 124.291 3.328 . . . . 0.0 113.373 -175.861 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.666 0.269 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.7 26.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mmt -89.37 110.55 21.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.224 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -122.4 134.89 25.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.728 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.32 117.77 4.64 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.091 1.86 . . . . 0.0 110.366 171.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.18 -10.48 9.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.4 142.7 30.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -78.27 172.18 13.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.69 72.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.236 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.72 -47.14 76.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 mp0 -59.7 -47.51 85.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.517 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 29' ' ' ILE . 95.1 mttt -63.11 -40.74 98.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.02 -43.59 82.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.651 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.87 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.855 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 24' ' ' GLU . 97.2 t -65.18 -41.05 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 25' ' ' LYS . 80.5 mt -63.21 -47.27 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.77 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -62.45 -38.88 91.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.617 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.75 99.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.409 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.41 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' HH ' HD21 ' A' ' 70' ' ' LEU . 62.7 m-85 -59.28 -41.47 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.961 0.41 . . . . 0.0 111.209 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -74.7 -19.44 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.785 -177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -100.06 -18.35 17.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -89.33 -51.38 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -93.04 -34.24 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 177.211 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CG ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -173.64 -81.98 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 pm0 -65.53 -29.79 70.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -167.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 m -67.89 -32.19 72.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.581 . . . . 0.0 110.284 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.54 HD13 ' CG ' ' A' ' 45' ' ' TYR . 16.8 mt -69.06 -50.32 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.966 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 m -56.79 -36.86 70.35 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.079 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.61 -57.69 10.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.66 -36.9 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -54.49 -53.75 50.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -63.21 -34.34 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.53 -50.04 68.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.079 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -74.82 -29.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 0.0 110.756 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HD3' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.32 -38.12 82.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 178.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -91.04 -0.61 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.446 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.5 28.83 62.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.323 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.06 -29.06 57.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.8 pt -131.78 147.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.554 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.563 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 19.9 m -72.67 164.99 25.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 176.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.506 ' HE2' HG23 ' A' ' 142' ' ' VAL . 95.5 mmm -64.69 -36.09 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.86 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HG3' ' OE1' ' A' ' 65' ' ' GLU . 13.8 ptmm? -62.86 -32.29 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 5.1 mm-40 -75.62 -41.19 54.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.61 -44.74 93.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.501 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 63' ' ' MET . 94.1 t -62.81 -43.59 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HB2' HG12 ' A' ' 128' ' ' VAL . 45.1 ttp180 -62.67 -35.43 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mmp_? -63.97 -52.21 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.028 175.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD21 ' HH ' ' A' ' 33' ' ' TYR . 81.9 mt -59.38 -47.1 86.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -68.93 -21.94 64.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.391 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.656 ' HE3' ' HB3' ' A' ' 125' ' ' ASP . 63.3 mttt -93.55 -4.13 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.586 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.6 m -74.25 142.24 78.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.18 -27.87 18.44 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.457 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.58 -48.81 73.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.76 0.314 . . . . 0.0 111.127 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.16 -37.18 66.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 109.909 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.83 -24.51 66.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.222 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -70.74 -25.51 62.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.064 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -102.1 169.3 8.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.977 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 65.5 m-85 69.39 -49.13 0.61 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -79.89 -36.71 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' H ' ' HD2' ' A' ' 83' ' ' PRO . 34.8 tt0 -99.31 -54.41 0.18 Allowed Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.497 ' HD2' ' H ' ' A' ' 82' ' ' GLU . 18.3 Cg_endo -61.8 -36.02 75.84 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.793 1.662 . . . . 0.0 111.923 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 85.3 m-85 -108.53 171.66 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.466 HG13 ' H ' ' A' ' 88' ' ' ARG . 37.6 pt -89.6 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -62.91 -21.45 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.591 0.234 . . . . 0.0 111.534 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -68.03 -30.48 69.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.146 0.498 . . . . 0.0 109.889 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.466 ' H ' HG13 ' A' ' 85' ' ' ILE . 10.2 tpt180 -86.81 -36.83 18.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.795 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.8 71.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.853 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -59.8 -47.58 85.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.074 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.43 -48.77 79.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.57 -44.37 93.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.185 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.86 76.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.724 0.297 . . . . 0.0 111.122 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.503 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 9.9 m-85 -64.01 -34.91 79.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.878 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.55 -29.57 27.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.177 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.05 -44.41 11.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.148 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.0 mt -83.16 -54.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.978 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -80.66 -19.26 45.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.827 -176.378 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 15.02 81.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.647 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -132.22 -78.72 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.957 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.503 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 136.49 172.03 12.45 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.43 118.24 5.29 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.536 2.157 . . . . 0.0 111.761 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.0 p -92.21 -54.33 3.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.027 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 108' ' ' VAL . 48.9 m -100.97 151.75 21.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 -176.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -63.52 -36.39 83.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -59.24 -44.48 92.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.591 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.85 -40.75 94.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.35 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 104' ' ' SER . 76.2 t -59.78 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.804 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.94 -29.24 69.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.766 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.05 -58.35 8.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.461 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 79.4 m-85 -77.8 -24.74 48.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.623 -175.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.79 -36.34 84.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.185 0.517 . . . . 0.0 109.728 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -65.41 -38.87 91.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.756 176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 111' ' ' TYR . 63.5 mt -61.3 -50.02 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.103 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 120' ' ' LEU . 11.4 p -68.19 -22.75 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.025 0.441 . . . . 0.0 111.109 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.3 t -79.29 -24.98 42.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.139 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.4 m -93.05 -60.63 1.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.576 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.06 6.52 59.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.643 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 115' ' ' VAL . . . 81.15 -166.36 48.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.465 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.589 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 52.3 tp -61.77 -49.23 87.08 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 11.3 Cg_endo -54.66 -35.19 86.33 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.382 2.055 . . . . 0.0 113.315 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.433 ' HA ' ' OD2' ' A' ' 125' ' ' ASP . . . -63.99 -35.31 80.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.984 0.421 . . . . 0.0 111.124 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 69.7 tp -67.25 -38.41 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.451 0.643 . . . . 0.0 109.959 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 71' ' ' ALA . 72.0 t -62.87 -52.11 63.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.2 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.656 ' HB3' ' HE3' ' A' ' 72' ' ' LYS . 2.5 p30 -69.32 -25.12 64.06 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.861 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.44 97.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.405 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 133' ' ' TYR . 96.7 mt -76.19 -48.1 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.383 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.463 HG12 ' HB2' ' A' ' 68' ' ' ARG . 89.5 t -72.4 -29.33 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -78.11 -25.58 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.982 -0.449 . . . . 0.0 111.516 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 t -60.27 125.91 25.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.489 . . . . 0.0 110.681 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.508 HE21 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -69.49 -21.25 63.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -177.319 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.12 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.316 0.579 . . . . 0.0 110.0 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 11.4 m-85 -79.48 -25.39 41.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.459 -177.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.86 88.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.69 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.25 -33.36 59.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.113 0.483 . . . . 0.0 110.646 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 55.3 t80 -61.54 -43.38 98.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.478 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' A' ' 98' ' ' LEU . 68.7 m-85 -94.27 -41.25 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.282 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.24 131.39 7.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 33.0 mt-10 -67.28 -23.73 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -86.58 -25.89 24.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.297 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.1 m -91.16 144.18 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -171.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.506 HG23 ' HE2' ' A' ' 63' ' ' MET . 45.5 t -79.0 122.17 84.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.402 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo . . . . . 0 C--N 1.346 0.402 0 C-N-CA 122.653 2.235 . . . . 0.0 112.18 179.762 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.48 0.709 0 N-CA-C 110.917 -0.455 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -94.55 60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.428 0.632 . . . . 0.0 110.282 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -149.84 23.47 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.356 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 t80 58.91 78.39 0.26 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.507 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -156.98 146.04 20.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.819 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.51 167.58 6.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.75 70.01 7.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.142 0.496 . . . . 0.0 111.136 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.53 -25.03 29.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.411 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.67 90.93 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.32 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -105.76 -28.33 10.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.977 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 11' ' ' ARG . 12.5 tpt180 -84.14 97.85 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.69 145.11 28.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.756 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -111.04 119.93 40.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.106 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -81.08 136.02 35.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.879 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' HD11 ' A' ' 20' ' ' LEU . . . -148.44 135.33 20.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.4 mmt -80.02 92.5 5.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 109.778 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -135.24 154.54 78.84 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.616 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 110.55 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.851 2.367 . . . . 0.0 112.565 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.87 41.53 0.34 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.356 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD11 ' O ' ' A' ' 15' ' ' ALA . 90.9 mt -120.39 128.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.544 0.211 . . . . 0.0 110.587 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.8 m -81.49 172.11 13.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.001 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.86 79.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.315 . . . . 0.0 111.679 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.75 -37.18 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.872 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.4 mm-40 -67.03 -49.15 66.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.018 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.14 -35.63 79.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.96 -45.34 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.527 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.05 88.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.062 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 24' ' ' GLU . 85.4 t -59.14 -49.29 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.85 -47.94 88.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.04 -36.49 83.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.735 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.25 87.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 74.2 m-85 -62.53 -41.71 99.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.743 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 24.9 mmm-85 -66.46 -18.97 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.847 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.767 ' HG2' ' HA ' ' A' ' 144' ' ' TYR . 4.4 tp-100 -94.04 -44.92 7.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.839 0.352 . . . . 0.0 111.075 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.458 HD11 HG13 ' A' ' 67' ' ' VAL . 46.3 mt -77.28 -40.66 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -176.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -96.13 -2.03 47.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.56 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.6 pt-20 45.75 25.76 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.682 1.193 . . . . 0.0 113.262 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -154.85 170.64 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' OD1' ' HD3' ' A' ' 34' ' ' ARG . 7.4 t70 -96.4 98.9 10.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.006 0.432 . . . . 0.0 110.728 -175.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 HD11 ' CD1' ' A' ' 33' ' ' TYR . 28.8 pt -87.76 140.27 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.491 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 t -167.92 173.06 8.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.508 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 56.03 -86.96 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.001 0.92 . . . . 0.0 112.69 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.42 73.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.269 0.556 . . . . 0.0 110.11 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -91.17 96.88 10.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.449 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.416 ' HB2' ' H ' ' A' ' 47' ' ' GLN . 26.5 p -161.23 -156.36 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.996 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' H ' ' HB2' ' A' ' 46' ' ' SER . 6.2 tp-100 67.73 -81.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 110.868 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 m -64.83 -35.41 81.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.038 0.447 . . . . 0.0 109.835 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.58 HG21 ' CZ ' ' A' ' 33' ' ' TYR . 65.0 mt -64.29 -41.91 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.39 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 4.8 m -66.78 -35.92 81.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.386 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.45 -43.29 70.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.771 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 48' ' ' SER . 96.4 mt -64.9 -34.26 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.231 176.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 50' ' ' SER . 34.1 tt0 -55.74 -55.7 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.331 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -64.79 -37.25 86.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.368 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -58.9 -47.08 86.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 111.458 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.48 -25.28 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.898 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.673 0.273 . . . . 0.0 110.791 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.97 -22.29 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.29 24.24 57.35 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -171.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.06 -44.59 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.262 0.553 . . . . 0.0 109.973 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -109.33 152.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -73.23 150.62 41.9 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.2 tpt -63.83 -18.52 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.422 0.63 . . . . 0.0 110.239 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.626 ' HB2' ' HB2' ' A' ' 150' ' ' HIS . 53.4 tttp -70.12 -43.83 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.823 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.754 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 31.3 tt0 -69.77 -36.31 75.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.018 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.47 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 89.4 t80 -53.98 -48.12 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.991 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG21 ' HE1' ' A' ' 150' ' ' HIS . 53.5 t -65.95 -47.8 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.118 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.754 ' HG2' ' HA ' ' A' ' 65' ' ' GLU . 21.7 ptt180 -64.94 -29.96 70.93 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.964 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HE ' ' HG2' ' A' ' 65' ' ' GLU . 61.6 mtt180 -64.6 -48.39 75.11 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.5 mt -61.69 -45.77 92.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.392 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.67 63.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.935 0.398 . . . . 0.0 111.525 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -97.87 3.86 49.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.096 0.474 . . . . 0.0 110.611 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.4 m -75.63 149.23 83.42 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.01 -26.66 50.69 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.234 2.622 . . . . 0.0 112.705 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.39 -57.62 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 0.0 110.479 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.22 -36.91 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 109.742 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HA ' HD22 ' A' ' 120' ' ' LEU . 58.8 ttt180 -61.9 -31.84 72.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.235 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.57 -52.26 4.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.245 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.94 -29.42 68.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.74 16.36 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -141.48 -35.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.527 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.601 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 10.3 tp10 -55.3 -52.57 70.38 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 19.5 Cg_endo -93.44 20.31 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.333 2.022 . . . . 0.0 111.903 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.75 -173.39 3.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.942 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 pt -127.73 179.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.933 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -57.41 -47.03 82.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.169 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.1 p -65.45 -32.66 74.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -79.04 -37.65 38.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.348 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.57 -33.82 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 175.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.98 -51.72 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.74 -44.65 96.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.39 -43.27 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.78 67.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 10.5 m-85 -54.6 -45.08 73.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 95' ' ' ARG . 42.7 ttm180 -63.97 -32.09 73.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.72 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -86.54 -41.27 14.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.8 mt -84.69 -52.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.82 0.343 . . . . 0.0 111.877 -174.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.501 HD12 HD21 ' A' ' 127' ' ' LEU . 77.8 mt -95.72 -24.86 16.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.887 0.375 . . . . 0.0 111.332 -174.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.87 86.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.846 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.564 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 44.6 ttp180 -131.07 138.36 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.65 161.67 40.68 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.327 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.574 ' HB2' HG21 ' A' ' 108' ' ' VAL . 9.2 Cg_endo -54.12 115.35 2.3 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.617 2.211 . . . . 0.0 111.179 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -101.95 -44.51 5.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.407 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 108' ' ' VAL . 11.8 m -94.59 144.44 25.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.029 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -58.63 -44.82 90.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -57.02 -46.71 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.628 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 104' ' ' SER . 66.5 tt0 -57.04 -52.84 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.291 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 102' ' ' PRO . 85.3 t -51.3 -59.99 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.047 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.84 -25.86 64.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -66.82 -55.9 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -77.56 -22.91 50.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' HA ' HG11 ' A' ' 115' ' ' VAL . 81.2 t80 -62.38 -36.68 83.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.3 m -64.89 -36.7 85.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.482 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.94 -45.98 79.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' A' ' 112' ' ' PHE . 8.0 p -72.87 -17.94 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 111.501 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 m -85.22 -39.45 17.77 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.218 -0.301 . . . . 0.0 111.193 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.0 p -89.06 -64.28 1.17 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.707 0.289 . . . . 0.0 111.643 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.83 -25.61 62.15 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.984 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.77 23.79 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.745 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.1 tp -63.89 -47.96 79.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.718 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -53.53 -38.07 83.19 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.25 74.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.33 -39.4 94.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.744 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 120' ' ' LEU . 91.8 t -58.45 -52.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.87 -38.76 86.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.944 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.67 95.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.733 0.301 . . . . 0.0 111.457 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 98' ' ' LEU . 95.7 mt -77.45 -50.06 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.398 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.428 HG11 ' HB3' ' A' ' 68' ' ' ARG . 92.8 t -66.28 -46.81 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.708 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.98 5.04 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 111.374 -174.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.6 t -57.35 119.04 5.77 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.924 0.393 . . . . 0.0 110.211 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.828 HE21 ' HA ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -62.99 -28.05 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.692 -176.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.44 -57.87 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.165 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.515 ' HA ' ' CD1' ' A' ' 137' ' ' PHE . 1.6 m-85 -68.52 -22.27 64.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.384 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.673 ' HB3' ' H ' ' A' ' 152' ' ' HIS . . . -78.49 -61.66 1.93 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.078 0.466 . . . . 0.0 111.624 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -68.2 -32.51 72.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -90.4 -21.86 21.74 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.745 ' HB3' ' HB3' ' A' ' 148' ' ' LEU . 54.2 m-85 -100.64 -27.4 13.41 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.702 ' O ' ' HA ' ' A' ' 150' ' ' HIS . . . 102.26 146.65 18.25 Favored Glycine 0 C--O 1.222 -0.65 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.837 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.76 ' HA ' ' H ' ' A' ' 151' ' ' HIS . 0.8 OUTLIER -85.27 -16.74 39.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -172.135 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.08 -35.57 21.75 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.54 HG22 HD11 ' A' ' 148' ' ' LEU . 2.7 m -62.73 128.86 37.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.473 HG11 ' HD2' ' A' ' 143' ' ' PRO . 60.0 t -75.03 135.9 73.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.54 ' HD3' ' CE1' ' A' ' 150' ' ' HIS . 72.8 Cg_endo -77.93 83.31 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.385 2.056 . . . . 0.0 112.662 -176.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.767 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 39.9 p90 -88.48 163.99 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.29 124.58 19.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 146' ' ' ARG . 7.5 tpt180 68.06 30.7 5.8 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.834 0.826 . . . . 0.0 109.735 -175.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.98 -136.24 8.63 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.889 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.745 ' HB3' ' HB3' ' A' ' 137' ' ' PHE . 5.5 mp -138.4 148.49 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 111.037 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 150' ' ' HIS . 6.5 tp10 -91.17 174.1 7.58 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.702 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 11.3 m80 -100.17 153.35 19.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.315 0.578 . . . . 0.0 111.897 -170.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.76 ' H ' ' HA ' ' A' ' 139' ' ' GLU . 11.2 t-160 -81.07 124.56 29.3 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.815 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.673 ' H ' ' HB3' ' A' ' 134' ' ' ALA . 20.4 t-80 -99.54 149.09 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 152' ' ' HIS . 1.7 m-70 71.97 173.65 0.3 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.679 0.612 . . . . 0.0 109.838 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -122.87 -48.73 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 168.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 . . . . . 0 C--O 1.244 0.77 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.36 167.763 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.474 0.355 0 N-CA-C 110.267 -0.705 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -89.19 116.66 27.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -76.73 46.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 62.32 -85.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.143 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.4 t80 69.81 -58.04 0.54 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.221 0.609 . . . . 0.0 111.548 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -118.8 116.11 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.986 0.422 . . . . 0.0 110.169 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.06 99.23 10.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.56 -169.63 3.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.909 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.34 -166.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -71.16 -43.06 68.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.56 0.695 . . . . 0.0 109.346 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -102.05 108.58 20.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.058 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -55.87 126.87 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.228 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.725 ' HB3' HG22 ' A' ' 141' ' ' THR . 94.3 mttt -75.73 149.58 38.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.651 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 142' ' ' VAL . 90.9 m-85 -85.29 82.22 8.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -111.2 133.52 53.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.837 -173.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.511 ' HG2' HG12 ' A' ' 28' ' ' VAL . 34.7 mtp -88.32 70.2 9.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.292 0.568 . . . . 0.0 109.734 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -102.47 148.72 35.88 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.422 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 135.13 67.52 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.948 2.432 . . . . 0.0 112.142 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.1 41.25 2.47 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.256 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -131.24 175.93 8.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.483 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 21.6 t -106.72 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.96 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.55 87.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.189 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -40.45 94.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 21' ' ' SER . 21.2 mm-40 -60.17 -47.06 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.467 . . . . 0.0 110.216 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 29' ' ' ILE . 96.5 mttt -67.59 -36.4 80.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -61.84 -38.5 88.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.041 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.85 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.221 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG12 ' HG2' ' A' ' 16' ' ' MET . 79.0 t -61.17 -44.02 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.857 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 25' ' ' LYS . 48.0 mm -59.22 -46.83 91.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.81 -42.8 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.71 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.776 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.876 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -58.87 -41.12 86.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.324 . . . . 0.0 111.482 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.3 ttp180 -62.72 -34.05 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.649 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.745 ' HA ' ' HA2' ' A' ' 147' ' ' GLY . 21.6 mt-30 -104.59 -17.88 14.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.8 mm -80.93 -40.56 18.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.25 -29.76 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.538 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 56.44 35.49 26.03 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.493 0.663 . . . . 0.0 110.222 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -175.85 154.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.432 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.35 144.66 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 pt -92.04 171.05 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.763 0.316 . . . . 0.0 110.817 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.537 ' HB ' ' CE2' ' A' ' 45' ' ' TYR . 5.3 m -86.03 139.71 30.92 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.424 -173.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 42' ' ' THR . 63.3 mttm 51.4 -125.43 2.33 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.81 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.57 59.37 1.54 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.537 ' CE2' ' HB ' ' A' ' 42' ' ' THR . 22.8 m-85 -65.3 97.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.652 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 32.9 p -156.38 19.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -65.05 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.04 0.448 . . . . 0.0 110.557 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 5.0 m -70.16 -20.14 63.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.652 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 57.5 mt -68.98 -49.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 46' ' ' SER . 49.3 m -71.75 -26.74 62.58 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 79.7 t80 -58.33 -52.32 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 48' ' ' SER . 90.3 mt -64.25 -33.25 75.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.012 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' CD ' HH21 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -59.24 -50.71 72.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.315 177.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 p -64.14 -28.36 69.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.7 0.286 . . . . 0.0 110.862 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.9 mm100 -64.45 -52.39 58.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG22 ' SD ' ' A' ' 16' ' ' MET . 14.1 p -71.74 -33.4 48.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.901 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.4 HH21 ' CD ' ' A' ' 53' ' ' GLU . 12.5 ttm180 -61.49 -45.92 92.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.558 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -75.34 -9.91 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 26.86 35.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.59 -41.61 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.156 0.503 . . . . 0.0 109.751 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.7 pt -123.96 148.72 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.725 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 p -87.4 163.41 16.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.464 ' HE2' ' SD ' ' A' ' 16' ' ' MET . 17.9 mmt -60.54 -31.44 70.54 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.27 -47.38 65.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.219 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -80.78 -31.33 35.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.371 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.03 -49.7 76.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.106 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 63' ' ' MET . 90.2 t -60.81 -46.84 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.449 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -55.97 -47.49 77.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.473 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.84 -38.59 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.742 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.51 -19.7 61.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.459 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.57 -0.3 32.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.4 p -71.07 144.61 90.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.48 -32.22 93.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.85 -48.27 79.75 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.962 0.41 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -63.54 -44.64 93.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.63 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.494 ' HA ' HD23 ' A' ' 120' ' ' LEU . 71.5 ttt180 -58.47 -33.93 70.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.71 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -80.27 -56.37 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.47 -12.94 60.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.3 t80 -103.02 -17.83 15.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.591 0.234 . . . . 0.0 111.501 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.499 ' HB2' HD21 ' A' ' 120' ' ' LEU . 72.2 t80 -120.51 -37.17 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 42.9 tt0 -69.06 -52.47 15.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 71.8 Cg_endo -77.76 11.23 2.3 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.894 1.729 . . . . 0.0 112.752 -178.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.12 160.1 31.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.4 HG13 ' H ' ' A' ' 88' ' ' ARG . 25.7 pt -84.42 153.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -52.7 -43.65 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.527 0.517 . . . . 0.0 111.777 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 13.4 p -66.67 -40.15 88.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.574 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' H ' HG13 ' A' ' 85' ' ' ILE . 22.3 ttm180 -77.72 -29.07 51.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 110.632 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.12 81.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 87' ' ' SER . 40.9 mt-10 -59.52 -45.39 91.88 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.773 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.484 HD22 ' HE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -64.65 -43.48 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.138 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.41 78.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -55.21 -48.67 73.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.257 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.457 ' O ' ' HD3' ' A' ' 146' ' ' ARG . 49.8 ttm-85 -80.87 -19.76 43.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.855 -171.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -89.75 -38.99 13.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.703 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.478 HD13 HD12 ' A' ' 127' ' ' LEU . 73.1 mt -88.09 -54.35 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.481 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.408 HD13 HD23 ' A' ' 127' ' ' LEU . 86.2 mt -95.13 -27.69 15.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.278 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.65 67.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.187 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.465 HH21 ' HB2' ' A' ' 103' ' ' SER . 33.8 mtp85 -97.38 -171.69 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.046 0.45 . . . . 0.0 111.311 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.96 173.36 24.13 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HB3' HG21 ' A' ' 108' ' ' VAL . 70.1 Cg_exo -52.3 108.03 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.076 2.517 . . . . 0.0 112.585 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.465 ' HB2' HH21 ' A' ' 100' ' ' ARG . 29.7 t -78.45 -42.95 28.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.6 p -144.59 160.54 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -58.97 -33.58 70.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.663 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.86 -40.73 72.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.8 -46.62 89.82 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 104' ' ' SER . 93.9 t -55.93 -57.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.996 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.57 -27.59 68.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.974 -175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.76 -53.74 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.111 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.475 ' HA ' HD13 ' A' ' 114' ' ' ILE . 78.3 m-85 -79.82 -25.4 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.195 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.38 -40.04 92.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.095 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.7 m -65.59 -37.41 86.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.067 0.461 . . . . 0.0 110.259 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 111' ' ' TYR . 68.8 mt -64.18 -51.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.29 -27.4 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 111.117 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 m -81.41 -14.12 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.186 -0.321 . . . . 0.0 111.262 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -97.83 -45.22 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.13 -1.87 29.9 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.341 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.57 -171.27 49.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.25 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.564 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 38.2 tp -61.16 -48.84 90.77 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -53.96 -32.69 69.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.365 2.043 . . . . 0.0 112.999 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.57 59.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.868 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.28 -43.81 93.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.79 -43.83 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.898 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.38 -51.31 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.058 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.51 68.15 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.607 0.567 . . . . 0.0 112.399 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.478 HD12 HD13 ' A' ' 97' ' ' ILE . 96.2 mt -85.1 -38.24 19.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.752 0.31 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.76 -24.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.08 -18.73 62.53 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.215 -0.303 . . . . 0.0 111.388 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.4 m -58.47 130.83 48.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.92 -29.61 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.521 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.27 -41.17 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.031 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.905 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 79.6 t80 -64.61 -50.09 68.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.901 177.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.72 85.16 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.99 -62.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.43 -41.98 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.668 0.27 . . . . 0.0 111.513 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.905 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 47.3 m-85 -86.86 -41.45 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.443 ' HA3' ' HG1' ' A' ' 141' ' ' THR . . . 108.71 120.1 4.36 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.522 176.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.79 -14.65 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.52 0.676 . . . . 0.0 109.781 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.57 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 22.0 mt-10 -92.83 -2.83 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.088 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.725 HG22 ' HB3' ' A' ' 13' ' ' LYS . 46.8 m -94.76 135.87 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.529 -171.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.559 ' HB ' ' HB2' ' A' ' 14' ' ' TYR . 50.0 t -91.78 140.14 24.94 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 168.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -25.35 118.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 125.081 3.854 . . . . 0.0 115.055 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -40.29 86.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.552 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.11 -167.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.308 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 95' ' ' ARG . 15.8 mmm180 73.86 178.1 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.722 0.639 . . . . 0.0 111.698 172.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.745 ' HA2' ' HA ' ' A' ' 35' ' ' GLN . . . 111.48 -51.49 0.7 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.635 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 148' ' ' LEU . 4.2 mm? 53.46 87.12 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.121 0.963 . . . . 0.0 112.063 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.39 16.95 6.69 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.51 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -112.62 21.74 15.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -74.08 -11.77 60.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.213 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -83.41 122.2 28.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.916 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -103.34 139.53 38.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -88.54 19.49 3.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.905 0.383 . . . . 0.0 111.404 -171.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.069 171.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo . . . . . 0 N--CA 1.482 0.803 0 N-CA-C 111.267 -0.32 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.57 116.32 7.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 62.58 25.15 14.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.09 -176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 64.8 -80.71 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.972 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -116.04 140.8 48.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.906 0.384 . . . . 0.0 109.978 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.92 121.14 42.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.863 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.71 117.94 35.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.308 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.4 -177.41 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.556 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.56 121.69 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.284 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.16 88.3 5.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.36 0.6 . . . . 0.0 111.733 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -173.81 168.37 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.251 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 64.93 168.15 0.18 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.759 0.79 . . . . 0.0 112.696 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.33 131.52 45.43 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.92 101.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 111.234 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.1 132.71 32.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -81.04 95.69 6.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.448 0.642 . . . . 0.0 110.035 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -98.1 144.48 28.12 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 -176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -61.65 107.02 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.636 2.224 . . . . 0.0 110.986 173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -17.99 4.27 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.144 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.19 140.09 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -74.62 167.84 20.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . . . -56.91 -45.13 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.948 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.58 -38.98 86.39 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 28' ' ' VAL . 33.3 mm-40 -66.5 -41.78 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.817 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -38.78 90.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.37 -42.66 87.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.172 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.21 87.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' GLU . 47.6 t -66.12 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.561 HD12 ' HB2' ' A' ' 53' ' ' GLU . 64.2 mt -64.96 -44.77 96.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.19 0.519 . . . . 0.0 110.2 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -61.61 -42.74 99.31 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.979 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.96 90.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.636 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.96 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.87 -31.33 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.36 -42.8 9.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.349 . . . . 0.0 111.722 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mm -72.83 -43.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.681 0.277 . . . . 0.0 111.665 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -109.97 -34.03 6.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.242 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 60.58 26.09 15.78 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.813 0.816 . . . . 0.0 109.718 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -165.53 150.27 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.943 -170.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD2' ' HE3' ' A' ' 43' ' ' LYS . 26.5 t70 -73.14 107.81 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 170.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -61.29 152.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.469 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.586 ' HB ' HD12 ' A' ' 75' ' ' LEU . 61.2 m -59.87 104.84 0.33 Allowed 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HE3' ' OD2' ' A' ' 40' ' ' ASP . 88.3 mttt -61.08 102.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.067 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 170.35 -23.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.457 -1.701 . . . . 0.0 107.853 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.685 ' HB3' HD22 ' A' ' 75' ' ' LEU . 22.9 p90 -55.06 155.1 4.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.437 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -59.97 151.3 26.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.81 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.67 -8.78 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.823 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.7 t -57.35 -27.45 62.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.181 175.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.0 -39.63 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.339 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 12.3 t -72.38 -31.26 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.546 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.536 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 35.8 t80 -66.4 -38.6 87.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.808 176.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.3 mt -61.22 -46.54 90.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.362 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HB2' HD12 ' A' ' 29' ' ' ILE . 12.4 pt-20 -66.63 -32.9 74.52 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.664 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.5 p -71.85 -33.1 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.931 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 44.5 mt-30 -68.62 -48.92 62.85 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.834 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -64.35 -34.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' NH2' ' HB3' ' A' ' 22' ' ' ALA . 28.3 ttt180 -61.93 -48.72 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.94 -21.6 62.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 28.67 6.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.781 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -82.0 -37.5 26.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.908 0.385 . . . . 0.0 110.719 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.2 pt -126.77 149.37 31.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.306 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -77.63 168.29 20.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.1 tpp -62.98 -37.17 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.227 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 28.7 ttpt -57.06 -39.48 75.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.337 0.589 . . . . 0.0 109.958 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.558 ' HB3' HH11 ' A' ' 69' ' ' ARG . 74.4 mm-40 -74.29 -33.05 63.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.788 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.0 t80 -62.36 -43.66 98.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.31 -46.35 92.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.419 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HB2' HG12 ' A' ' 128' ' ' VAL . 2.3 ttm180 -53.8 -48.66 69.63 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.558 HH11 ' HB3' ' A' ' 65' ' ' GLU . 4.2 mpt_? -69.08 -36.77 77.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.564 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 70.7 mt -67.11 -38.06 84.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.674 0.273 . . . . 0.0 111.06 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.8 -24.95 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.973 0.416 . . . . 0.0 110.739 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -81.52 -12.66 58.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.077 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.8 m -75.43 148.42 83.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.188 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.66 -42.3 50.58 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.633 2.889 . . . . 0.0 113.465 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 45' ' ' TYR . 3.5 mm? -64.95 -23.37 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.79 -45.92 11.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.389 0.614 . . . . 0.0 109.76 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HG2' HD23 ' A' ' 120' ' ' LEU . 21.1 mtp180 -70.64 -45.2 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.701 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.37 -13.75 60.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.531 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.782 HE21 ' HA ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -106.82 -46.18 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.88 -18.29 21.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HB2' HD21 ' A' ' 120' ' ' LEU . 87.5 t80 -89.6 -71.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.4 tt0 -75.51 -49.68 3.71 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 93.8 Cg_exo -47.92 -34.29 22.05 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 122.335 2.023 . . . . 0.0 113.191 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.509 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 m-85 -87.46 -83.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' A' ' 84' ' ' PHE . 10.8 tp 167.89 155.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -53.53 -47.86 69.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.1 m -60.57 -26.66 67.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.005 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.488 ' H ' HG21 ' A' ' 85' ' ' ILE . 15.1 tpp180 -86.33 -38.27 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 81' ' ' PHE . . . -62.81 -40.95 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.586 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 49.5 tp -57.69 -47.13 83.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.32 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -66.19 -46.28 77.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.031 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.23 -50.43 70.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.745 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.26 86.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.154 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.19 -58.97 5.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.823 -178.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 16.7 ptt85 -74.58 -18.39 60.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.782 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.6 -28.89 22.99 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.36 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.9 mt -99.48 -49.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.166 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.24 -5.15 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.46 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.87 -30.26 3.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.715 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -109.86 130.93 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.801 -0.235 . . . . 0.0 110.525 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.18 166.76 54.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.138 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.02 125.7 19.95 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.11 2.54 . . . . 0.0 112.396 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 m -107.86 -50.46 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.533 ' O ' HG21 ' A' ' 108' ' ' VAL . 45.9 t -102.29 147.16 27.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.978 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -65.25 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.294 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.28 -43.14 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.3 -47.07 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.383 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 104' ' ' SER . 85.7 t -58.17 -54.44 32.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.763 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.36 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 111.5 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.32 -44.89 95.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -89.89 -25.61 20.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.58 -39.89 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.421 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 p -70.25 -24.37 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.657 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.92 -48.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.41 -24.98 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.287 0.565 . . . . 0.0 110.611 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -30.05 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.043 0.449 . . . . 0.0 110.143 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.1 t -82.85 -62.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.106 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -108.37 15.98 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.302 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.36 -160.52 53.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.861 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.3 tp -67.22 -46.7 51.17 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.145 -0.455 . . . . 0.0 112.149 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.5 Cg_endo -49.04 -45.88 27.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.533 2.155 . . . . 0.0 113.134 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.72 94.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.96 0.41 . . . . 0.0 110.818 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.69 -43.45 93.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.213 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 120' ' ' LEU . 93.6 t -57.07 -52.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.986 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.94 -41.34 91.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.362 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.88 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.558 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.53 -51.83 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.168 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.496 HG12 ' HB2' ' A' ' 68' ' ' ARG . 75.5 t -63.63 -47.18 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -172.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.49 17.67 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.635 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 p -65.76 127.86 33.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.45 -24.49 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.349 -172.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 41.8 mt-10 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.03 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.418 ' OH ' ' HG3' ' A' ' 143' ' ' PRO . 29.3 t80 -66.39 -45.93 78.37 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.746 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.0 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.836 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.05 -33.93 26.34 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.462 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.45 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 16.2 t80 -62.05 -55.64 27.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.983 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -94.46 -41.75 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.127 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 113.68 149.66 10.3 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.706 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -89.69 -15.61 32.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -177.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.37 -23.95 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.981 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.4 m -90.56 145.39 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.805 -172.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.84 131.1 68.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.495 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.418 ' HG3' ' OH ' ' A' ' 133' ' ' TYR . 33.3 Cg_exo -56.8 107.92 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.744 2.296 . . . . 0.0 112.095 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -119.61 137.54 53.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.381 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 98.2 mt -87.19 84.36 7.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.256 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -143.77 -70.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.756 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 80.36 -87.78 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.624 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.733 ' HG ' ' H ' ' A' ' 150' ' ' HIS . 2.7 pt? -74.04 -176.36 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.665 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -82.82 11.55 5.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.735 -176.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.733 ' H ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 m170 60.39 51.98 5.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 74.6 m80 67.06 -110.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -169.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 65.13 -71.53 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.812 0.695 . . . . 0.0 111.108 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -147.35 123.53 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.706 0.288 . . . . 0.0 110.225 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -95.58 -22.14 17.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 47.8 t60 . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.895 174.746 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 111.347 -0.29 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 56.53 -95.07 0.05 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.416 0.687 . . . . 0.0 112.187 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -124.26 2.61 8.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.716 0.293 . . . . 0.0 110.534 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 68.39 170.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -162.44 148.87 13.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.312 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -129.22 -40.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.99 96.72 9.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.011 0.434 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.91 -73.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.71 -90.21 0.03 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.734 0.646 . . . . 0.0 111.038 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -130.44 -60.7 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.845 0.355 . . . . 0.0 110.659 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 51.59 59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.023 0.916 . . . . 0.0 108.852 -171.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -81.11 158.67 24.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.926 -1.488 . . . . 0.0 111.321 -171.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -83.02 156.31 23.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.553 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -93.9 161.18 14.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.241 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.55 133.4 14.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.484 ' HE3' HG21 ' A' ' 56' ' ' VAL . 59.3 tpp -86.11 90.81 8.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.21 0.529 . . . . 0.0 109.895 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -121.42 148.68 50.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.026 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.55 -27.91 78.72 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.209 2.606 . . . . 0.0 113.443 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 34.93 2.44 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.187 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 71.1 mt -125.05 135.03 52.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.404 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 18.9 m -81.08 -177.78 6.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.207 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.73 81.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.733 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -47.27 80.11 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.873 0.368 . . . . 0.0 111.024 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' O ' HG22 ' A' ' 28' ' ' VAL . 2.6 mp0 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.554 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' ILE . 37.2 mttp -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.252 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -57.74 -45.47 85.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.673 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.06 94.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.677 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.542 HG13 HG22 ' A' ' 142' ' ' VAL . 90.6 t -63.07 -48.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.156 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 25' ' ' LYS . 41.5 mm -59.54 -48.28 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.225 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.15 -42.47 96.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.347 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.36 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.1 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.122 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.403 ' CZ ' ' HZ ' ' A' ' 66' ' ' PHE . 55.4 m-85 -66.18 -36.36 82.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.106 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 2.0 ttp180 -78.38 -6.4 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.039 -177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.469 ' HG2' ' HB2' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -103.84 -25.76 12.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.86 0.362 . . . . 0.0 111.016 177.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.7 -40.4 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -112.56 -4.41 14.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.82 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mp0 57.42 15.0 2.45 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.383 0.673 . . . . 0.0 112.519 -177.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -158.89 174.74 14.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.35 . . . . 0.0 110.974 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.89 140.87 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.763 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.0 pt -124.3 155.87 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.255 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.58 ' HB ' ' HB2' ' A' ' 45' ' ' TYR . 50.5 m -71.06 136.24 48.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 11.5 mptt -64.7 -48.2 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 109.48 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.85 19.02 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.237 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.58 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 3.4 t80 -65.16 -36.02 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.136 0.493 . . . . 0.0 109.966 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -143.62 4.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.91 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 69.83 -41.59 0.49 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.7 m -59.43 -22.57 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 44.9 mm -64.15 -47.08 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.982 176.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.191 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 64.2 t80 -58.21 -49.19 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.547 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' SER . 85.4 mt -68.79 -44.04 74.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.77 -47.05 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.965 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -62.98 -48.46 78.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.928 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 50.2 mt-30 -54.44 -52.92 60.28 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG21 ' HE3' ' A' ' 16' ' ' MET . 14.9 p -67.81 -34.86 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.961 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -67.72 -41.51 83.39 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.93 0.395 . . . . 0.0 110.652 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -67.25 -21.59 65.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.99 18.32 40.5 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.62 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.04 -44.81 25.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.772 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 39.1 pt -120.27 167.67 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.401 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -99.48 176.04 5.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.998 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.52 ' HE2' HG21 ' A' ' 142' ' ' VAL . 87.6 mmm -65.42 -30.23 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.77 -54.1 43.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.348 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 46.7 mm-40 -63.9 -37.36 87.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.587 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.403 ' HZ ' ' CZ ' ' A' ' 33' ' ' TYR . 41.2 t80 -64.44 -52.2 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.052 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.4 -42.18 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.218 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HB2' HG11 ' A' ' 128' ' ' VAL . 29.8 ttm105 -54.57 -51.64 64.62 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.117 0.484 . . . . 0.0 110.894 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -70.31 -25.43 63.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.477 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -73.32 -45.91 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.669 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.67 62.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -76.18 -18.31 59.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.787 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.5 m -71.57 149.39 93.38 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-O 121.323 0.582 . . . . 0.0 111.857 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.66 -26.03 62.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.046 2.497 . . . . 0.0 112.074 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.84 -36.35 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.146 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.505 ' HD2' HD23 ' A' ' 120' ' ' LEU . 45.2 t80 -80.72 -27.86 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.808 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -59.09 -28.49 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 172.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -93.51 -38.87 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.249 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -98.5 112.01 24.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.437 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 68.42 22.86 7.72 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -100.01 -45.48 5.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 167.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.665 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 8.7 mm-40 61.22 104.04 0.03 OUTLIER Pre-proline 0 N--CA 1.457 -0.098 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.578 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.7 65.53 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.645 2.896 . . . . 0.0 112.417 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.665 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 97.2 m-85 -133.31 -162.32 1.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.414 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 87' ' ' SER . 15.7 tt -63.6 135.33 27.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.001 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -61.71 -17.42 55.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.409 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.2 m -61.47 -14.56 29.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.902 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -104.54 -42.25 5.49 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.425 0.631 . . . . 0.0 110.723 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.62 70.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.645 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.88 -58.8 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -64.97 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.246 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.27 -43.84 96.81 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.043 0.449 . . . . 0.0 110.473 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.33 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.383 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' HD12 ' A' ' 98' ' ' LEU . 9.0 m-85 -55.94 -38.11 69.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.297 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -60.07 -50.28 74.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.553 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.445 ' O ' ' HD3' ' A' ' 146' ' ' ARG . 11.0 m80 -80.54 -33.91 35.93 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.4 -45.29 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.637 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 127' ' ' LEU . 46.8 mt -105.34 -47.34 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.204 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.588 ' HA2' ' HG2' ' A' ' 146' ' ' ARG . . . 121.99 -7.46 10.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.483 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -159.48 155.3 26.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.55 174.42 54.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.71 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.7 128.4 14.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.091 2.527 . . . . 0.0 112.295 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 m -99.0 15.99 23.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 108' ' ' VAL . 42.0 t -141.56 136.11 30.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.828 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -64.18 -39.95 95.07 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.81 -43.04 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.391 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 6.7 tp10 -64.77 -35.21 80.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.923 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 104' ' ' SER . 95.2 t -60.86 -59.97 3.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.28 -32.07 69.69 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.151 0.5 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -59.4 -59.77 4.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.185 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -79.03 -23.98 43.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.652 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -59.33 -42.97 92.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 0.0 109.999 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.2 m -64.11 -40.82 97.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.6 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.12 -50.01 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.76 -23.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.0 t -77.24 -37.09 53.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.4 m -91.94 -42.49 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.7 -23.57 20.58 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.771 -176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.9 -160.62 20.91 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.751 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 56.2 tp -64.95 -52.74 47.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.87 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -52.07 -42.36 59.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 122.403 2.069 . . . . 0.0 112.609 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.885 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.0 -39.76 87.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.956 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 120' ' ' LEU . 67.5 t -61.3 -51.13 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.41 -42.14 91.12 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.972 0.415 . . . . 0.0 110.836 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.96 98.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.673 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 98' ' ' LEU . 94.0 mt -80.68 -48.97 11.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.712 -176.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' A' ' 68' ' ' ARG . 59.4 t -68.19 -44.25 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.715 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.58 9.9 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.734 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -66.25 116.88 7.77 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 169.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -67.67 -23.91 65.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -175.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.26 -52.92 59.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -68.01 -49.29 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.131 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.52 98.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.747 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -82.86 -38.65 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.536 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.53 -55.44 27.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.272 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -80.27 -38.37 31.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.095 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.8 165.14 19.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.177 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.47 -17.51 23.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.115 0.483 . . . . 0.0 110.44 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.58 -25.03 19.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.328 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.9 m -65.22 130.37 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.348 0.594 . . . . 0.0 112.41 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.542 HG22 HG13 ' A' ' 28' ' ' VAL . 92.1 t -93.42 137.7 23.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.122 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.734 ' HB3' ' HD2' ' A' ' 146' ' ' ARG . 3.3 Cg_endo -47.04 139.91 14.36 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.957 3.105 . . . . 0.0 113.719 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.67 -90.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.48 79.3 0.27 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.301 0.572 . . . . 0.0 110.206 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.734 ' HD2' ' HB3' ' A' ' 143' ' ' PRO . 94.3 mtt180 -145.56 -33.55 0.35 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.996 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -113.38 87.71 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 pp -95.05 -17.24 22.05 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -168.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.96 129.79 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.845 0.715 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -82.04 -63.75 1.32 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.558 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.94 159.74 26.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.542 -0.169 . . . . 0.0 110.542 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 51.81 43.91 29.72 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.404 0.621 . . . . 0.0 110.067 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -88.39 71.65 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.552 0.692 . . . . 0.0 112.834 -168.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -97.06 -31.91 12.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 55.6 t60 . . . . . 0 C--O 1.243 0.76 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.011 176.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo . . . . . 0 N--CA 1.48 0.733 0 N-CA-C 110.658 -0.555 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -108.06 123.1 48.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.8 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m 69.54 -55.47 0.58 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.327 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -83.49 104.74 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 0.0 110.494 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.7 -28.1 13.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.713 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 60.61 -102.51 0.13 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.936 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 55.08 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.272 0.629 . . . . 0.0 111.823 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.36 80.45 1.91 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.18 -1.02 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.926 -174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 63.72 87.56 0.11 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.417 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -88.72 -18.94 26.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.576 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -82.29 104.36 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.544 0.688 . . . . 0.0 110.074 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -122.41 174.0 7.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.989 -175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -68.32 110.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.827 0.346 . . . . 0.0 110.129 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -144.2 130.25 19.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.405 ' SD ' HG22 ' A' ' 56' ' ' VAL . 48.1 ttm -83.06 98.74 9.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 0.0 110.321 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -135.53 143.2 44.11 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.32 117.37 4.07 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.67 2.247 . . . . 0.0 111.507 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.2 -17.29 2.94 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.503 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 15' ' ' ALA . 88.0 mt -79.72 155.7 27.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 110.371 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 m -81.73 170.01 16.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.944 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.06 97.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.084 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.05 -32.65 74.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -64.61 -49.57 70.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.122 0.487 . . . . 0.0 109.823 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 29' ' ' ILE . 99.7 mttt -65.39 -35.92 82.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -58.75 -45.02 90.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.44 91.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.032 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.49 -49.74 83.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.992 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.536 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.2 mt -66.01 -40.42 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.71 -35.7 81.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.263 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.67 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.7 87.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' HH ' ' HB2' ' A' ' 53' ' ' GLU . 54.9 m-85 -60.91 -44.95 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.207 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 34' ' ' ARG . 22.0 ttt180 -68.37 -22.0 64.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.185 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -85.89 -45.01 11.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.26 -46.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.415 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -86.19 -15.1 41.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.713 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 96' ' ' HIS . 55.7 mt-10 62.95 25.62 15.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.485 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -157.01 161.78 39.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 111.034 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.76 112.4 17.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.997 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.95 141.73 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.938 0.399 . . . . 0.0 111.611 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 t -173.84 -53.01 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.959 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 7.9 mtpm? -63.53 106.3 0.92 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 61.92 29.5 17.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.058 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -81.98 63.65 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 112.222 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m 56.79 -169.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.625 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -105.61 -26.44 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.074 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 m -63.69 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.877 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.54 -58.01 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.727 0.299 . . . . 0.0 111.082 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -68.41 -24.78 64.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.0 t80 -70.94 -41.93 70.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.31 -39.2 74.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.748 0.309 . . . . 0.0 110.289 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.536 ' HG3' HG21 ' A' ' 29' ' ' ILE . 34.7 tt0 -54.47 -47.4 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 p -69.55 -32.46 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.372 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.8 mt-30 -64.37 -47.45 79.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.959 0.409 . . . . 0.0 110.854 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG22 ' SD ' ' A' ' 16' ' ' MET . 8.5 p -74.01 -32.35 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.003 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -74.75 -27.74 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.028 176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -67.34 -25.73 66.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 174.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 11.04 61.21 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.85 -45.29 51.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.563 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.1 pt -112.86 176.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.936 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.8 p -117.85 -178.77 3.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.0 mmm -63.54 -18.6 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.039 0.447 . . . . 0.0 110.261 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 148' ' ' LEU . 43.5 tptt -60.22 -59.57 5.2 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.545 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -65.97 -40.0 90.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.095 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 27.5 t80 -56.62 -56.2 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.278 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.48 -47.07 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.64 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.498 ' HB3' HG12 ' A' ' 128' ' ' VAL . 10.8 ptt180 -68.27 -32.02 71.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.564 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -73.17 -34.3 65.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 90.9 mt -66.42 -48.6 69.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.476 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -71.13 -25.06 62.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.818 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' A' ' 121' ' ' PRO . 55.9 tttm -76.98 -17.99 58.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.8 m -61.53 139.1 95.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.479 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.45 -26.84 46.59 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.792 2.994 . . . . 0.0 113.297 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.23 -45.24 92.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.4 -22.98 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.981 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.532 ' HA ' HD21 ' A' ' 120' ' ' LEU . 53.5 ttt-85 -80.79 -31.54 35.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.05 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -78.37 -38.24 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.38 -177.84 6.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 39.8 t80 68.4 -64.72 0.29 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' HB2' HD22 ' A' ' 120' ' ' LEU . 86.5 t80 -79.44 -44.25 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 13.7 mm-40 -69.69 -49.32 21.44 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -177.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 25.6 Cg_endo -63.4 -19.48 68.16 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.055 1.836 . . . . 0.0 112.772 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -112.45 -162.17 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -119.86 167.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.507 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.52 -39.88 71.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.951 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 p -60.98 -52.74 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.451 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 53.7 mtt180 -70.05 -29.85 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.65 99.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 0.0 110.17 176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.86 -46.17 90.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.566 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 92.4 mt -67.3 -37.34 83.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.683 0.278 . . . . 0.0 110.753 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.93 79.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.426 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -58.4 -34.9 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.901 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.438 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 25.2 tpt180 -73.34 -31.71 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.514 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 38' ' ' GLU . 25.8 m80 -81.9 -45.22 15.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.617 -177.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.491 HD11 HG12 ' A' ' 124' ' ' VAL . 64.9 mt -84.15 -74.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.896 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.96 -26.76 63.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.941 0.4 . . . . 0.0 111.162 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 78.46 21.26 70.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -137.34 -169.86 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.74 147.34 17.92 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.517 ' HB2' HG21 ' A' ' 108' ' ' VAL . 18.2 Cg_endo -59.65 112.21 1.19 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.389 2.06 . . . . 0.0 111.212 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -96.47 -22.04 17.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.857 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.2 t -97.91 140.95 31.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.956 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -64.42 -40.36 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 110.367 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 46.1 mt-10 -59.76 -44.59 93.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.83 174.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 102' ' ' PRO . 41.9 tt0 -60.71 -44.97 95.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.415 -178.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.517 HG21 ' HB2' ' A' ' 102' ' ' PRO . 60.5 t -55.59 -57.95 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.939 0.399 . . . . 0.0 110.587 177.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.5 -26.27 66.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.774 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.0 tmtm? -63.7 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 110.33 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.05 -23.91 21.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.1 -40.75 90.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.116 0.484 . . . . 0.0 110.14 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 p -70.61 -36.14 73.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 110' ' ' LYS . 71.1 mt -60.29 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.966 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.416 ' HB ' HD23 ' A' ' 123' ' ' LEU . 11.6 p -68.46 -27.53 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.466 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 m -81.44 -40.51 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.99 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.4 t -73.85 -46.19 46.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.696 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.59 -70.67 1.1 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.057 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 154.72 -174.51 33.01 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.553 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 59.8 tp -62.18 -50.52 79.67 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.82 0.31 . . . . 0.0 111.482 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.688 ' HB3' ' HG3' ' A' ' 72' ' ' LYS . 52.0 Cg_exo -55.95 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.929 1.753 . . . . 0.0 112.348 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.75 98.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.957 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 115' ' ' VAL . 64.2 tp -61.49 -49.43 76.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.144 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.491 HG12 HD11 ' A' ' 97' ' ' ILE . 96.7 t -58.96 -45.97 91.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.522 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.08 -54.78 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.0 76.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.035 -177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.81 -31.27 64.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.638 0.256 . . . . 0.0 111.189 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 68' ' ' ARG . 79.9 t -78.88 -33.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.511 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -90.93 -4.28 56.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.581 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.9 p -54.75 138.82 41.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -75.08 -16.66 60.55 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.524 -177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -61.06 -60.36 3.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 0.0 109.44 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 2.5 t80 -62.84 -36.16 82.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.914 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 148' ' ' LEU . . . -68.09 -26.01 65.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.486 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.86 -20.42 33.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.667 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 1.0 OUTLIER -50.47 -65.39 0.57 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.794 -172.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.913 ' HB3' ' HB2' ' A' ' 146' ' ' ARG . 60.6 t80 -151.66 -41.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -174.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.838 ' HA2' HD13 ' A' ' 148' ' ' LEU . . . 154.52 174.58 24.71 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 119.055 -1.545 . . . . 0.0 113.81 -170.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -109.32 -4.94 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -32.77 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.933 0.397 . . . . 0.0 111.625 -170.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -77.02 159.05 30.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.497 HG12 ' HD2' ' A' ' 143' ' ' PRO . 37.6 t -72.48 141.32 82.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.497 ' HD2' HG12 ' A' ' 142' ' ' VAL . 78.2 Cg_exo -50.99 90.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.158 2.572 . . . . 0.0 114.567 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -112.67 36.65 3.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 165.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.416 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 24.0 mt 72.5 83.61 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 113.367 -1.742 . . . . 0.0 110.182 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.913 ' HB2' ' HB3' ' A' ' 137' ' ' PHE . 0.5 OUTLIER -168.26 161.72 12.34 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.226 -177.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.54 45.51 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 119.351 -1.404 . . . . 0.0 113.139 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.838 HD13 ' HA2' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -171.44 163.81 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.396 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.99 174.91 7.28 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -77.53 -27.95 51.83 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -164.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 55.96 -155.91 0.28 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 155' ' ' HIS . 7.7 p-80 -76.65 78.99 3.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.775 0.797 . . . . 0.0 109.531 170.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -83.85 -10.31 58.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.442 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -128.47 34.01 4.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.65 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.435 ' O ' ' HB2' ' A' ' 152' ' ' HIS . 58.4 m80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.906 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo . . . . . 0 N--CA 1.48 0.695 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -85.49 80.88 8.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.366 0.603 . . . . 0.0 111.062 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -106.53 0.87 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.37 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -82.39 98.77 9.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.826 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -155.65 127.87 7.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.373 0.606 . . . . 0.0 110.969 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -115.76 157.38 24.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 96.2 0.38 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.09 -24.78 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.904 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.02 -7.8 50.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.512 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.2 mttp 66.92 93.8 0.07 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.548 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.615 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 1.9 mmp_? -124.89 135.86 53.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.294 -174.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.74 -171.43 3.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.227 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm 59.43 86.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.616 0.572 . . . . 0.0 111.867 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.15 102.82 13.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.863 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.33 133.59 55.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.72 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.404 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 41.5 ttm -82.03 94.16 7.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.316 0.579 . . . . 0.0 109.866 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.663 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 72.8 mttt -72.03 153.94 92.59 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.295 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.6 100.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.637 2.225 . . . . 0.0 112.232 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 34.24 53.68 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.405 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -71.46 156.11 39.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 178.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.51 160.43 19.42 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.33 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.564 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.25 -47.13 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.808 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.6 mp0 -61.31 -46.56 89.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.557 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.3 ttmt -62.53 -40.12 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.404 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.27 -48.57 81.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.956 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.9 99.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.521 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.1 t -62.42 -50.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.363 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.79 -37.5 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.64 -45.3 94.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.226 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.38 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.594 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.88 82.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.192 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 43.9 m-85 -70.31 -23.44 62.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 40.7 ttp180 -83.27 -16.77 45.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.156 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.75 -44.85 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.424 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.42 HD12 HG12 ' A' ' 67' ' ' VAL . 49.8 mm -76.53 -60.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.432 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.82 4.2 31.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.072 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.652 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 38.0 mt-10 56.96 33.38 23.19 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.642 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 15.9 tpt180 70.21 10.42 7.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.618 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.76 53.47 2.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.057 0.456 . . . . 0.0 110.999 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.603 ' HA ' ' HE2' ' A' ' 45' ' ' TYR . 44.1 pt -114.33 131.4 66.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.0 t 177.59 -173.88 0.13 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.207 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt 67.85 -88.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.636 0.774 . . . . 0.0 112.331 172.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.61 -11.71 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -170.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.603 ' HE2' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -112.57 118.15 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.057 0.456 . . . . 0.0 111.05 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -161.27 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.977 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.97 -47.92 67.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -60.82 -36.37 78.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.759 0.79 . . . . 0.0 110.445 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.52 HG21 ' CZ ' ' A' ' 33' ' ' TYR . 75.4 mt -67.44 -47.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.24 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 p -69.09 -31.66 70.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.823 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.31 -52.5 61.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.228 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.83 -38.19 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.356 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.78 -50.44 72.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.197 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 m -61.3 -38.33 86.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -69.99 -42.82 72.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.66 -31.55 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.332 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.84 -32.3 73.48 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.628 175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.48 -19.31 60.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.23 11.37 75.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.544 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.67 -45.6 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.112 0.482 . . . . 0.0 110.35 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.1 pt -119.95 140.36 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.282 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.1 p -74.92 173.02 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpt -68.26 -30.64 69.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' ' 129' ' ' ASP . 79.2 tttt -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.956 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 68' ' ' ARG . 28.3 tp10 -64.69 -42.71 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.06 -53.01 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.332 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG12 HD12 ' A' ' 36' ' ' ILE . 56.3 t -60.11 -42.9 91.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 27.0 ttp180 -61.24 -42.15 98.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -65.42 -36.11 82.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.045 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.58 -54.81 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.24 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -74.12 -18.79 60.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.158 -174.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 12.6 tmtt? -79.13 -22.32 45.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -71.36 154.96 93.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.703 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.61 -26.47 46.26 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.741 2.961 . . . . 0.0 114.051 -176.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.15 -53.76 53.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -68.0 -32.96 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.618 0.723 . . . . 0.0 109.469 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HA ' HD23 ' A' ' 120' ' ' LEU . 30.0 ttm180 -66.09 -42.34 89.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.664 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -76.42 -11.4 59.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.722 0.296 . . . . 0.0 111.138 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.65 -44.08 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 0.0 111.046 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -115.09 48.19 1.19 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.705 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -165.73 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.456 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 33.6 mm-40 -77.85 -59.26 0.81 Allowed Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.757 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 58.9 Cg_endo -77.93 -53.79 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.42 1.413 . . . . 0.0 111.769 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.3 131.86 35.23 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.7 pt -83.07 170.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.923 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -52.17 -32.64 36.85 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.274 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 m -52.67 -50.51 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.664 0.386 . . . . 0.0 111.624 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -91.11 -27.67 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.73 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.88 80.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.753 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.69 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.28 -52.38 61.6 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.19 -37.59 83.94 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.293 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.88 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.617 0.246 . . . . 0.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -56.72 -39.55 74.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.101 0.476 . . . . 0.0 111.424 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -81.27 -39.09 25.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.676 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.55 -33.75 58.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 85.5 mt -95.24 -60.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.662 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.698 HD12 HD21 ' A' ' 127' ' ' LEU . 73.2 mt -78.18 -18.22 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.435 -173.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.42 21.39 76.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.808 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -117.29 -56.58 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.529 . . . . 0.0 111.133 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.1 172.68 37.23 Favored Glycine 0 N--CA 1.442 -0.94 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.528 ' HB3' HG23 ' A' ' 108' ' ' VAL . 16.1 Cg_exo -68.2 88.93 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.45 2.1 . . . . 0.0 111.441 176.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -75.16 -39.57 60.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.456 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.624 ' HB2' ' OE1' ' A' ' 106' ' ' GLU . 13.6 p -128.36 149.02 50.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.746 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.415 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 6.5 tpt180 -65.87 -34.22 77.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 110.992 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.624 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 4.3 pm0 -67.58 -37.88 83.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.24 -36.2 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' A' ' 102' ' ' PRO . 86.8 t -56.72 -57.93 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.427 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -61.0 -38.47 86.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.869 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.61 -48.2 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.854 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.8 -23.33 17.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.86 -37.52 84.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.112 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -62.79 -34.04 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.258 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.82 -46.85 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.438 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -71.02 -18.83 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.1 t -82.25 -28.39 31.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.4 p -100.5 -49.2 4.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.21 -4.47 56.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.916 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.26 -170.95 51.41 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.642 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 31.9 tp -63.73 -46.4 82.44 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.7 Cg_endo -49.55 -45.89 29.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.452 2.102 . . . . 0.0 113.01 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.4 88.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.438 HD22 ' HB ' ' A' ' 115' ' ' VAL . 63.2 tp -62.86 -50.37 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.472 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.48 -47.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.45 -48.18 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.782 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 130' ' ' SER . . . -59.61 -39.85 85.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.698 HD21 HD12 ' A' ' 98' ' ' LEU . 94.2 mt -72.22 -49.31 36.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.575 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 43.2 t -76.82 -41.78 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.67 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.2 t70 -81.12 -6.37 58.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -173.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' ' 126' ' ' ALA . 95.5 p -62.8 142.22 58.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.452 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -80.61 -20.35 43.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.876 -178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.02 -55.2 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.429 ' O ' ' HD1' ' A' ' 137' ' ' PHE . 54.6 t80 -66.73 -41.26 88.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.464 ' HA ' ' HE1' ' A' ' 137' ' ' PHE . . . -57.19 -41.14 78.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.375 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.84 -32.06 72.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.104 0.478 . . . . 0.0 110.492 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.48 -56.56 11.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.278 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.464 ' HE1' ' HA ' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -102.24 -26.86 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.305 -172.182 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.35 151.1 27.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.91 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 pm0 -74.52 -9.19 58.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.833 0.316 . . . . 0.0 111.519 -173.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.01 -13.44 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.62 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.9 m -93.35 148.66 21.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -170.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -87.16 130.24 48.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.857 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.0 134.5 55.96 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.37 2.713 . . . . 0.0 112.871 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -151.85 163.2 39.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.64 145.88 31.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.027 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 146' ' ' ARG . 24.0 ttt85 -87.15 129.76 34.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -54.06 131.09 44.69 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.543 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.1 mt -88.04 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 152' ' ' HIS . 35.9 mt-10 51.56 53.55 12.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.268 0.556 . . . . 0.0 110.572 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -58.28 115.72 3.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.354 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 55.2 t60 70.98 20.06 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.157 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 149' ' ' GLU . 14.9 t-80 -82.73 94.45 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.3 -68.64 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.829 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -156.33 82.63 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.951 0.405 . . . . 0.0 110.743 -175.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.288 176.151 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.477 0.553 0 N-CA-C 110.517 -0.609 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' A' ' 2' ' ' GLN . 12.1 mt-30 61.41 41.92 12.24 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.493 0.496 . . . . 0.0 111.196 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -76.99 -14.55 59.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -95.17 -130.46 0.15 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.901 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 62.77 36.79 12.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.829 0.823 . . . . 0.0 109.044 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.793 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 83.8 m-20 -109.2 123.38 49.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.285 -170.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.66 ' H ' ' HD3' ' A' ' 64' ' ' LYS . . . -141.29 -171.71 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.046 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.902 ' HB2' HG22 ' A' ' 67' ' ' VAL . . . -145.65 -157.57 0.81 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.664 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 97' ' ' ILE . . . -137.19 86.34 2.19 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 95' ' ' ARG . 15.6 mtmm 69.2 146.74 0.06 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 166.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.477 ' HB3' ' CG1' ' A' ' 142' ' ' VAL . 7.0 tpt180 158.82 -82.32 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.802 -1.544 . . . . 0.0 109.461 165.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.705 HE21 ' HA ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 175.04 164.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 -175.162 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -69.44 80.74 0.39 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.918 0.866 . . . . 0.0 112.368 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.541 ' HB3' HG23 ' A' ' 28' ' ' VAL . 93.3 m-85 -111.12 141.75 44.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 169.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -123.47 141.81 51.63 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.805 -173.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.481 ' SD ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -89.4 43.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.967 172.104 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' HE2' HD21 ' A' ' 20' ' ' LEU . 24.0 pttm -88.87 156.02 49.83 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.82 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.3 151.46 83.32 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.927 2.418 . . . . 0.0 111.836 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.57 45.3 6.51 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.106 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.555 HD23 ' HG2' ' A' ' 24' ' ' GLU . 84.5 mt -126.72 157.88 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.811 0.339 . . . . 0.0 110.5 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -80.96 162.85 23.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.49 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.68 -32.88 74.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' HG2' HD23 ' A' ' 20' ' ' LEU . 13.8 tp10 -67.59 -48.77 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.882 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HE2' ' HB2' ' A' ' 20' ' ' LEU . 71.7 mmtt -57.24 -42.63 81.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.393 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -63.27 -44.87 93.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.901 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.94 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.282 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.541 HG23 ' HB3' ' A' ' 14' ' ' TYR . 51.7 t -61.67 -49.76 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.094 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.434 HG23 ' HG3' ' A' ' 53' ' ' GLU . 66.4 mt -65.0 -43.39 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.29 -43.92 97.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.34 99.29 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -60.55 -51.48 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -56.53 -35.81 68.52 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.587 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 63.7 ttt180 -74.65 -26.67 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.206 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -91.05 -6.48 53.8 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.772 -0.58 . . . . 0.0 111.553 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.617 HG12 ' O ' ' A' ' 32' ' ' ALA . 51.0 mm -90.27 -58.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' HE1' ' HB2' ' A' ' 76' ' ' TYR . 33.9 m-85 -121.31 6.14 10.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.518 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.587 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 15.6 tp10 72.18 6.42 5.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.919 0.866 . . . . 0.0 108.715 -167.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? 56.89 -90.42 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.741 -173.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t70 66.51 -47.23 0.44 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.648 0.779 . . . . 0.0 112.639 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 pt -52.31 153.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 123.335 0.654 . . . . 0.0 111.347 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -76.63 160.72 29.15 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.604 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -80.82 31.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.928 -171.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.76 9.31 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.145 0.497 . . . . 0.0 110.006 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.6 103.75 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.498 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m 66.37 124.48 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.728 0.775 . . . . 0.0 112.409 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.67 -28.86 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.365 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -60.06 -37.03 78.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.8 mm -66.9 -39.86 84.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.338 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -70.38 -33.11 71.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.87 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.9 t80 -67.86 -51.42 48.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.67 -38.25 84.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HG3' HG23 ' A' ' 29' ' ' ILE . 39.2 tt0 -57.84 -42.53 84.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.995 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -79.01 -33.32 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.42 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 18.2 mm100 -59.52 -50.12 75.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.642 0.258 . . . . 0.0 110.906 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.8 p -71.28 -32.84 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -60.08 -40.68 90.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.969 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.54 -1.77 56.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.04 27.97 63.32 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.89 -39.66 42.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.266 0.555 . . . . 0.0 109.861 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -122.39 144.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.9 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -75.82 160.86 29.53 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.6 tpp -56.23 -27.36 54.63 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 110.275 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.793 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 21.3 tptm -50.23 -59.62 3.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.874 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.03 -28.01 64.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.587 -174.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.0 t80 -64.96 -62.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.016 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.902 HG22 ' HB2' ' A' ' 8' ' ' ALA . 53.3 t -57.55 -42.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.255 0.55 . . . . 0.0 110.6 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -54.77 -56.7 16.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.376 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.672 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.8 mt -69.64 -46.05 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.221 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -10.0 59.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.509 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.83 16.08 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.984 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -77.61 147.5 75.04 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.597 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.73 -34.13 95.5 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.696 2.264 . . . . 0.0 112.204 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.9 tp -61.38 -53.55 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 177.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.688 ' HB2' ' HE1' ' A' ' 37' ' ' PHE . 87.7 t80 -67.52 -33.73 75.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.693 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.525 ' HA ' HD21 ' A' ' 120' ' ' LEU . 59.9 ttp180 -60.55 -39.98 89.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -72.3 -35.32 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.9 mm-40 -69.96 133.36 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.489 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 83' ' ' PRO . 72.0 m-85 72.74 -41.84 0.52 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.539 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HB2' HD22 ' A' ' 120' ' ' LEU . 76.2 t80 -65.35 -27.71 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.638 -177.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.543 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 5.9 mm-40 -83.12 -53.14 0.6 Allowed Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 35.5 Cg_exo -63.03 -31.79 76.22 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.09 1.86 . . . . 0.0 112.83 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -120.4 130.36 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 pt -73.62 176.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.263 . . . . 0.0 110.995 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.04 -35.93 62.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -61.91 -38.16 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.957 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.09 -35.32 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.61 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD11 HD21 ' A' ' 123' ' ' LEU . 44.6 tp -58.1 -58.79 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.385 175.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.19 -38.01 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.54 -45.12 94.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.188 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.86 92.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.493 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 14.1 m-85 -58.34 -40.24 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.363 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 10' ' ' LYS . 64.8 ttt180 -83.64 -27.85 28.83 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.804 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -77.59 -27.85 51.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.815 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 72.8 mt -102.86 -69.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.686 0.279 . . . . 0.0 111.248 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 HD13 HD21 ' A' ' 127' ' ' LEU . 62.2 mt -69.34 -41.05 77.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.53 17.71 11.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -145.43 -84.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.744 0.772 . . . . 0.0 111.721 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.493 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 155.85 172.32 23.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.073 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.58 155.59 40.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.789 2.326 . . . . 0.0 112.086 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.8 p -90.14 -62.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.54 ' O ' HG21 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -133.58 174.7 10.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -171.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 105' ' ' ARG . 49.2 mtt180 -54.79 -47.73 73.6 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.514 0.509 . . . . 0.0 112.365 -171.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -58.91 -46.06 88.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.3 -37.85 84.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.945 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 104' ' ' SER . 97.0 t -62.7 -58.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.265 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.92 -28.66 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -57.63 -57.14 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.757 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -79.58 -23.48 42.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.6 -34.59 75.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.157 0.503 . . . . 0.0 109.867 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 m -65.45 -34.24 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.375 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.29 -46.14 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.64 -21.18 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.4 t -82.22 -47.65 12.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.6 t -69.67 -55.8 8.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.449 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -93.19 -41.18 4.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.599 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.86 -172.58 15.17 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.826 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.568 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.9 tp -59.17 -51.09 84.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.814 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 37.2 Cg_exo -58.91 -33.0 98.45 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.731 1.621 . . . . 0.0 112.503 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.21 79.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.939 0.399 . . . . 0.0 110.324 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 90' ' ' LEU . 60.9 tp -66.78 -38.21 86.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.818 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.66 -51.7 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.438 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.35 -42.31 81.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.705 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.33 77.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.491 HD12 HD13 ' A' ' 97' ' ' ILE . 96.0 mt -87.66 -36.41 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.419 HG11 ' HD2' ' A' ' 64' ' ' LYS . 58.2 t -80.46 -27.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.897 0.379 . . . . 0.0 111.238 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -98.51 13.87 30.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.429 0.633 . . . . 0.0 110.371 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -71.32 137.5 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -70.52 -49.71 45.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.728 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.34 -39.76 91.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.37 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -70.15 -39.36 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.24 95.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.068 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.08 -29.73 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.951 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -83.01 -55.78 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.91 -42.42 9.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.45 171.17 26.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.518 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 6' ' ' ASN . 10.4 pt-20 -96.52 -37.94 10.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.515 0.197 . . . . 0.0 111.482 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.635 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 52.3 mt-10 -70.82 -33.78 71.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.315 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 90.9 m -88.8 122.24 32.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 11' ' ' ARG . 25.6 t -63.72 128.4 92.73 Favored Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.651 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 39.6 Cg_exo -59.66 165.05 10.38 Favored 'Trans proline' 0 CA--C 1.522 -0.124 0 C-N-CA 123.533 2.822 . . . . 0.0 112.889 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 146' ' ' ARG . 28.9 p90 -146.96 166.53 26.5 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.042 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.31 88.33 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.419 ' HB3' ' CE1' ' A' ' 144' ' ' TYR . 19.5 tpp180 -179.89 133.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.749 -177.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.533 ' C ' ' H ' ' A' ' 149' ' ' GLU . . . 91.64 -151.52 20.95 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.107 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 148' ' ' LEU . 2.3 tm? 72.74 -20.03 0.29 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.419 0.688 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 147' ' ' GLY . 2.9 pt-20 -51.3 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.01 0.924 . . . . 0.0 112.185 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.443 ' H ' ' HG3' ' A' ' 149' ' ' GLU . 73.2 t60 70.21 -38.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 112.403 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 149' ' ' GLU . 79.7 t60 67.08 96.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.238 0.615 . . . . 0.0 110.856 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -76.93 99.0 5.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -113.23 -173.69 2.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -58.17 122.9 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.982 0.42 . . . . 0.0 110.584 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 . . . . . 0 C--O 1.243 0.716 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.52 -179.218 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 N--CA 1.477 0.557 0 N-CA-C 110.553 -0.595 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.71 71.72 10.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.328 0.585 . . . . 0.0 110.367 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -165.38 102.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.05 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -107.2 102.18 11.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.857 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.02 -17.29 57.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -100.87 147.8 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.874 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.07 162.47 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.962 0.411 . . . . 0.0 111.991 -175.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.66 165.84 31.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.419 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.17 63.32 4.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 tptt 64.11 16.69 10.17 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.329 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 70.34 121.18 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.883 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.15 157.38 34.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.979 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -73.31 156.94 37.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.083 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -86.3 113.78 22.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.319 0.58 . . . . 0.0 110.128 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 141' ' ' THR . . . -147.71 141.88 26.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.899 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.542 ' SD ' HG22 ' A' ' 56' ' ' VAL . 46.5 ttm -103.32 106.36 16.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.245 0.545 . . . . 0.0 109.747 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -126.96 156.9 73.43 Favored Pre-proline 0 C--N 1.316 -0.869 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.591 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.36 108.61 0.53 Allowed 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.262 1.974 . . . . 0.0 111.523 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.46 38.01 0.43 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.131 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -117.45 168.62 10.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.965 0.412 . . . . 0.0 110.704 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.587 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 20.3 m -103.08 -177.09 3.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.438 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 -55.23 23.24 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -35.24 79.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 2.1 mp0 -58.87 -50.25 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.872 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' O ' HG13 ' A' ' 29' ' ' ILE . 82.1 mttt -61.99 -46.79 87.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.721 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -61.52 -40.16 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.213 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.09 95.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 24' ' ' GLU . 96.3 t -65.21 -40.49 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.777 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.426 HG22 ' CE2' ' A' ' 33' ' ' TYR . 67.7 mt -64.54 -45.72 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.36 -46.15 89.45 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.131 0.491 . . . . 0.0 110.567 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.94 89.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.29 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.63 74.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.426 ' CE2' HG22 ' A' ' 29' ' ' ILE . 28.7 m-85 -55.11 -60.43 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.268 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.97 -22.6 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.88 -173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.508 ' NE2' ' HB3' ' A' ' 144' ' ' TYR . 44.2 tt0 -80.31 -43.85 20.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.242 -0.287 . . . . 0.0 111.204 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.41 -48.12 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.655 ' HA ' ' HE1' ' A' ' 76' ' ' TYR . 82.6 m-85 -84.49 -5.24 59.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.576 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' ' HZ ' ' A' ' 80' ' ' PHE . 28.7 mm-40 64.74 12.65 7.81 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.039 0.447 . . . . 0.0 111.457 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 41' ' ' ILE . 67.1 ttt180 -174.86 160.71 2.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -171.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -78.24 32.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.363 0.601 . . . . 0.0 110.376 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.575 ' HB ' ' HE1' ' A' ' 45' ' ' TYR . 1.2 mt 48.62 -143.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.544 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -110.06 140.22 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.651 0.262 . . . . 0.0 111.432 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -71.93 78.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 176.63 -45.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.313 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' HE1' ' HB ' ' A' ' 41' ' ' ILE . 31.9 m-85 53.49 -161.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.057 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.3 t -140.17 150.14 43.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.5 -30.4 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.0 110.815 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.465 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 24.5 m -63.85 -28.82 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.986 177.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.6 mm -73.15 -46.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -61.57 -34.45 75.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 71.2 t80 -59.45 -55.18 37.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.8 mt -58.37 -43.53 88.47 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.98 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 29' ' ' ILE . 26.6 tt0 -53.58 -51.09 64.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.344 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 -39.01 83.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 25.5 mm-40 -63.64 -55.51 23.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.542 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.2 p -66.97 -33.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.857 0.36 . . . . 0.0 110.604 -176.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.02 -47.81 83.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -82.47 -6.74 59.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.94 31.31 23.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.91 -41.22 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.28 0.562 . . . . 0.0 109.75 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.8 pt -122.32 161.34 23.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.08 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -81.2 160.51 24.3 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.266 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.8 tpt -65.23 -37.5 87.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 139' ' ' GLU . 13.0 tmtt? -59.13 -37.89 78.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.426 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.55 -34.32 65.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.1 t80 -60.88 -47.39 86.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.77 -48.47 88.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.992 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HB2' HG12 ' A' ' 128' ' ' VAL . 1.5 ttm-85 -59.88 -42.84 94.64 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -70.97 -41.07 71.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.769 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD13 ' HE1' ' A' ' 37' ' ' PHE . 71.5 mt -60.62 -49.16 78.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 111.323 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.27 63.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.47 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.27 -9.6 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.107 0.48 . . . . 0.0 110.412 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.3 m -70.56 144.95 92.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.26 -30.28 71.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.149 2.566 . . . . 0.0 112.17 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.567 HD22 HG22 ' A' ' 41' ' ' ILE . 32.2 tp -55.2 -53.46 55.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.655 ' HE1' ' HA ' ' A' ' 37' ' ' PHE . 32.0 t80 -71.09 -34.57 71.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 0.0 110.635 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.795 ' HG2' HD22 ' A' ' 120' ' ' LEU . 43.9 mtp180 -69.64 -25.97 64.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.181 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 9.8 mmmm -77.15 -11.61 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.83 -61.0 1.52 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.699 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.486 ' HZ ' ' HG3' ' A' ' 38' ' ' GLU . 12.2 m-85 -95.8 62.73 2.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.641 -175.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.48 ' HB2' HD23 ' A' ' 120' ' ' LEU . 73.0 t80 -178.49 -64.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.543 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 19.5 tt0 -67.45 -48.65 44.68 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -172.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 6.7 Cg_exo -76.23 10.19 2.2 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.258 1.972 . . . . 0.0 112.595 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -130.17 176.17 8.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.4 pt -89.65 149.97 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.54 -39.61 77.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.27 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 t -58.63 -39.57 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 25.5 ttt180 -87.1 -32.07 20.11 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.797 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.16 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.117 0.484 . . . . 0.0 109.914 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 123' ' ' LEU . 30.6 tp -56.92 -48.43 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.961 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.17 -40.68 96.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.559 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.8 mt -61.39 -37.78 84.66 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.124 0.488 . . . . 0.0 110.871 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.03 83.75 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.427 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.581 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 34.9 m-85 -57.54 -39.92 77.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.533 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -58.89 -50.07 75.38 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -84.28 -36.43 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.7 mt -83.78 -49.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.0 -8.16 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.52 43.87 98.36 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.292 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.581 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 27.7 ttt-85 -159.29 114.91 2.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.461 -0.199 . . . . 0.0 110.461 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.61 143.64 30.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.551 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HB2' HG23 ' A' ' 108' ' ' VAL . 56.4 Cg_endo -72.11 99.36 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -82.48 -33.61 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.3 m -84.88 131.12 34.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -63.59 -36.3 83.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.687 0.28 . . . . 0.0 110.649 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.53 -35.35 79.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.313 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.29 -44.36 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.615 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 104' ' ' SER . 71.7 t -58.81 -53.69 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.13 -30.69 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.17 -58.28 9.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 95.7 m-85 -74.15 -23.94 59.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.492 ' HA ' HG13 ' A' ' 115' ' ' VAL . 90.2 t80 -61.15 -36.48 79.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.5 . . . . 0.0 109.833 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -68.0 -29.89 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.474 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.83 -46.72 34.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 112' ' ' PHE . 11.0 p -70.93 -22.54 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.569 -176.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 p -85.16 -53.9 4.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.312 . . . . 0.0 111.267 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -75.82 -46.84 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.555 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.24 -47.94 4.76 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.76 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.57 173.97 14.34 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.795 HD22 ' HG2' ' A' ' 77' ' ' ARG . 46.4 tp -63.09 -46.31 86.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.486 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -52.95 -37.82 78.68 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.096 1.864 . . . . 0.0 112.229 176.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.84 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.575 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.57 HD22 HD11 ' A' ' 90' ' ' LEU . 41.9 tp -58.92 -54.21 49.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.41 -42.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.894 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.55 -41.91 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.566 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.63 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.187 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 91.8 mt -69.1 -52.01 32.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.441 HG12 ' HB2' ' A' ' 68' ' ' ARG . 46.6 t -69.63 -36.31 70.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.808 0.337 . . . . 0.0 111.567 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.17 31.2 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.313 0.577 . . . . 0.0 110.906 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.405 ' OG ' ' HB3' ' A' ' 133' ' ' TYR . 24.3 p -76.2 139.52 41.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.02 -45.72 86.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.893 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.71 -45.87 81.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.64 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.405 ' HB3' ' OG ' ' A' ' 130' ' ' SER . 70.5 t80 -64.79 -46.07 83.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.045 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.0 -49.08 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.693 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.23 -30.71 54.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -72.2 -48.97 39.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.165 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -88.56 -40.81 13.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.863 -169.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.04 -168.51 23.46 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.65 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 pt-20 -117.72 -1.19 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 141' ' ' THR . 6.0 pt-20 -93.03 -45.22 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.436 ' N ' ' HG3' ' A' ' 140' ' ' GLU . 4.1 m -79.19 155.56 28.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -168.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.2 t -95.2 122.55 59.52 Favored Pre-proline 0 CA--C 1.53 0.211 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.09 142.4 50.77 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.66 2.24 . . . . 0.0 113.569 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.508 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 15.1 p90 -156.38 -169.36 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.904 175.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.07 -20.76 64.34 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -132.86 -173.98 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 176.27 -95.81 0.1 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.1 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.98 117.94 5.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.76 103.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -124.29 94.63 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.98 149.18 35.95 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 166.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -72.14 106.07 4.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.041 0.448 . . . . 0.0 110.587 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -79.82 121.7 25.71 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -45.2 -58.34 3.32 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.759 0.662 . . . . 0.0 110.711 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.737 171.696 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.474 0.38 0 N-CA-C 110.617 -0.57 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.7 -9.03 48.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 110.941 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 6' ' ' ASN . 13.8 t -147.07 155.12 41.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.703 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -68.42 -30.96 69.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.429 0.633 . . . . 0.0 109.557 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.35 -43.97 14.22 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 9.3 t30 71.48 -48.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.348 -1.297 . . . . 0.0 111.19 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.62 100.09 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 79.29 2.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.845 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.3 -176.68 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.462 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.33 117.13 28.82 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.93 75.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.581 0.705 . . . . 0.0 111.459 -177.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.78 114.16 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.203 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' OH ' ' A' ' 144' ' ' TYR . 30.4 mtpp -144.14 163.07 34.65 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.705 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' HD2' ' CZ ' ' A' ' 144' ' ' TYR . 59.2 m-85 -70.9 99.07 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.207 0.527 . . . . 0.0 110.15 174.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.48 125.13 26.78 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.344 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 16' ' ' MET . 34.5 ttm -80.38 94.79 6.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.399 0.618 . . . . 0.0 110.705 -175.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -95.9 145.91 30.38 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.15 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -61.14 112.07 1.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.614 2.209 . . . . 0.0 110.926 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.88 7.71 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.309 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.84 146.95 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.595 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 4.2 m -63.57 150.72 43.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.119 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.59 72.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.503 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.68 -35.75 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.595 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 49.7 mt-10 -71.92 -41.23 68.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.007 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 29' ' ' ILE . 93.7 mttt -58.15 -44.39 87.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.401 175.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -59.46 -42.0 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.5 85.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.175 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 24' ' ' GLU . 86.2 t -57.68 -45.35 86.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.554 HD12 ' HG3' ' A' ' 53' ' ' GLU . 74.3 mt -65.69 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -68.68 -33.81 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 0.0 110.592 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.28 84.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.446 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.28 82.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -54.74 -53.43 55.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 48.9 mtm180 -70.25 -22.41 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.591 -173.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' HG2' ' HB2' ' A' ' 144' ' ' TYR . 63.1 tp60 -89.18 -42.61 11.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -178.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.639 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 mm -75.68 -48.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.632 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -82.67 -29.15 30.17 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.753 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.1 mt-10 55.47 29.47 13.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.992 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -164.58 177.44 8.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.872 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.28 147.91 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -91.23 159.14 2.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.97 0.414 . . . . 0.0 111.727 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m -53.57 115.17 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.997 -170.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 49.58 -95.94 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.864 0.865 . . . . 0.0 112.865 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.83 47.18 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.515 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 42' ' ' THR . 1.6 m-30 -53.96 112.62 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 17.9 t -162.87 -151.01 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 71.36 -74.03 0.09 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.698 0.624 . . . . 0.0 110.087 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -68.17 -40.7 82.21 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 61.4 mt -67.52 -44.29 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.943 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 p -66.9 -32.04 73.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -62.08 -45.2 94.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.953 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.97 -45.55 81.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.554 ' HG3' HD12 ' A' ' 29' ' ' ILE . 38.2 tt0 -58.21 -42.2 85.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -55.32 -49.69 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.606 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 53' ' ' GLU . 14.1 p -78.08 -37.5 22.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.09 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 57' ' ' ARG . 18.3 ttm180 -66.09 -30.23 70.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 110.552 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -74.17 -18.85 60.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.36 21.08 55.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.775 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.77 -36.02 18.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.683 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 pt -116.09 157.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.814 0.34 . . . . 0.0 110.449 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.51 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 13.0 m -72.41 146.45 46.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -33.86 76.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.452 0.644 . . . . 0.0 109.424 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HG3' HG11 ' A' ' 128' ' ' VAL . 18.5 tptm -53.06 -42.04 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.763 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 7.5 tp10 -68.38 -42.5 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.566 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.09 -42.05 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 143' ' ' PRO . 61.3 t -63.36 -44.37 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.262 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HB2' HG13 ' A' ' 128' ' ' VAL . 39.5 ttp180 -59.14 -38.09 78.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.744 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HD3' ' HE2' ' A' ' 72' ' ' LYS . 12.1 mmt180 -64.46 -45.78 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.24 -41.02 97.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.006 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB2' HG13 ' A' ' 124' ' ' VAL . . . -69.8 -29.69 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.349 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.571 ' HE2' ' HD3' ' A' ' 69' ' ' ARG . 65.9 pttt -96.23 10.96 36.17 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.08 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 m -74.51 144.09 80.25 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.431 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 87.7 Cg_exo -48.63 -41.03 38.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.522 2.815 . . . . 0.0 113.457 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.25 -36.72 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 111.011 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -73.11 -24.26 60.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG2' HD23 ' A' ' 120' ' ' LEU . 78.3 mtp180 -82.83 -29.65 29.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.871 175.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 74.4 mmtt -71.79 -32.64 67.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.479 . . . . 0.0 109.912 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -96.35 -175.97 3.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.9 t80 68.11 -70.12 0.13 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.56 -16.77 53.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.455 . . . . 0.0 111.116 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.596 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -75.13 -51.38 3.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.666 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 3.1 Cg_exo -78.44 -23.19 8.83 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 0.0 112.513 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.84 114.19 22.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.1 pt -66.72 172.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.02 -43.86 19.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.016 0.526 . . . . 0.0 111.553 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -59.63 -31.25 69.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.351 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -103.97 -29.72 10.75 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.886 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.12 78.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 111' ' ' TYR . 39.2 tp -61.05 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.67 -48.95 77.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.373 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 80' ' ' PHE . 1.5 tt -64.45 -44.39 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' HB1' ' HZ ' ' A' ' 80' ' ' PHE . . . -63.59 -46.8 84.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.352 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.58 -49.28 76.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 110.264 -178.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 95' ' ' ARG . 10.5 ttm180 -68.76 -29.44 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.04 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.639 ' CE1' ' HA ' ' A' ' 36' ' ' ILE . 5.7 t-80 -76.97 -30.59 56.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.495 -175.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.48 HD13 HD12 ' A' ' 127' ' ' LEU . 70.9 mt -93.4 -51.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.436 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.441 HD13 HD21 ' A' ' 127' ' ' LEU . 77.7 mt -94.92 -25.61 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.45 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.67 -4.71 79.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.407 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 43.9 ttt85 -114.43 140.33 48.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.26 155.26 21.35 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.491 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.11 129.61 33.94 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.673 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 t -123.21 -38.43 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.654 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 1.2 m -87.95 136.54 32.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -67.06 -35.58 80.16 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.542 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -78.21 -31.69 49.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' ' 104' ' ' SER . 27.5 tt0 -59.9 -47.44 85.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.029 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 104' ' ' SER . 92.3 t -57.67 -54.63 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.669 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -57.16 -36.54 70.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.702 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.495 ' O ' HG13 ' A' ' 114' ' ' ILE . 61.6 tttm -59.51 -59.88 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.433 . . . . 0.0 110.597 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.441 ' HB3' HD12 ' A' ' 90' ' ' LEU . 92.7 m-85 -72.99 -28.12 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.562 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.58 -38.95 93.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.034 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -70.25 -31.85 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.083 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 110' ' ' LYS . 77.2 mt -66.39 -47.58 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.526 ' HB ' HD23 ' A' ' 123' ' ' LEU . 15.0 p -72.05 -29.06 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.437 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.7 m -83.18 -45.3 14.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.628 0.252 . . . . 0.0 111.428 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 t -80.85 -46.06 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 -177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.6 -60.06 1.94 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.83 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.35 174.27 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.289 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 61.1 tp -60.1 -49.99 88.34 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.561 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -56.74 -31.59 88.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 121.945 1.763 . . . . 0.0 112.172 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.99 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.526 HD23 ' HB ' ' A' ' 115' ' ' VAL . 54.7 tp -61.34 -48.24 82.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 71' ' ' ALA . 93.9 t -58.26 -45.67 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.301 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.93 -42.59 99.28 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.775 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.6 75.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.521 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.48 HD12 HD13 ' A' ' 97' ' ' ILE . 99.1 mt -84.09 -31.67 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.829 0.347 . . . . 0.0 111.864 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 68' ' ' ARG . 99.4 t -85.44 -42.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.89 -30.22 61.24 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 p -58.49 127.39 31.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.162 0.506 . . . . 0.0 111.37 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.412 ' HA ' ' HB1' ' A' ' 134' ' ' ALA . 50.6 tp60 -63.35 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.357 -174.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.38 -52.58 64.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.685 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 137' ' ' PHE . 21.6 m-85 -77.74 -22.29 50.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . . . -69.34 -51.61 35.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.13 0.49 . . . . 0.0 110.745 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.78 -51.59 57.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.381 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -75.94 -25.68 56.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -172.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 57.6 m-85 -90.71 -40.95 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.113 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.94 131.04 7.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.707 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 20.5 mm-40 -79.1 -19.11 52.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.791 0.329 . . . . 0.0 111.252 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -84.86 -13.55 50.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 0.0 110.072 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.1 m -84.65 144.05 28.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.141 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.477 ' O ' ' HD1' ' A' ' 144' ' ' TYR . 40.9 t -88.19 127.53 56.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.586 172.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.565 ' HD2' HG23 ' A' ' 67' ' ' VAL . 60.6 Cg_endo -74.15 63.39 5.18 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 174.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.493 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 11.1 p90 -101.92 146.08 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.387 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 81.8 mt -92.41 81.18 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -178.14 175.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.83 72.6 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.573 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.41 90.94 3.35 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.736 -0.273 . . . . 0.0 110.822 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 52.09 90.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.961 0.788 . . . . 0.0 113.073 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -89.25 123.55 33.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -58.33 130.38 46.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.252 0.549 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.33 177.2 8.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -67.78 -77.12 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.872 0.306 . . . . 0.0 111.723 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -86.33 128.67 34.96 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.177 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.159 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.478 0.562 0 N-CA-C 110.328 -0.681 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -86.73 148.45 25.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -100.95 148.7 24.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -125.06 133.36 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -85.15 -19.98 30.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t30 64.99 106.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.916 0.76 . . . . 0.0 110.485 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.3 117.3 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.371 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.71 133.74 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.16 167.22 13.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.33 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -89.33 99.81 12.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.981 0.42 . . . . 0.0 110.85 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 11' ' ' ARG . 26.1 ttt180 -148.77 27.92 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -83.05 177.09 8.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.665 -175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -76.76 178.65 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.886 -176.739 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.427 ' HB3' HG13 ' A' ' 28' ' ' VAL . 96.6 m-85 -79.86 118.86 22.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 109.866 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . . . -145.4 151.4 38.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.527 ' SD ' HG21 ' A' ' 56' ' ' VAL . 51.7 ttm -113.15 112.8 24.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.103 0.478 . . . . 0.0 110.835 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -135.87 154.62 77.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.372 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.59 127.23 25.31 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.48 2.12 . . . . 0.0 111.712 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.95 25.62 5.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.402 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -117.66 147.39 42.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.646 0.26 . . . . 0.0 110.389 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.7 m -73.85 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.78 -38.7 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.2 tp10 -61.89 -53.3 57.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.8 mttt -61.3 -42.23 98.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.281 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -54.84 -42.84 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.55 83.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 24' ' ' GLU . 89.5 t -61.51 -43.18 96.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.925 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.544 HG23 ' HG3' ' A' ' 53' ' ' GLU . 77.2 mt -63.56 -45.81 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.965 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.9 -34.47 78.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.153 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.29 86.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.0 -55.65 32.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.711 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -58.31 -32.12 68.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.72 -29.47 62.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' OE1' ' HA ' ' A' ' 144' ' ' TYR . 65.2 mt-30 -105.46 -30.12 9.77 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.89 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.578 HD13 ' HG2' ' A' ' 143' ' ' PRO . 36.2 mm -67.62 -40.67 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.591 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.42 -10.57 19.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.5 8.78 4.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -162.72 166.96 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.19 176.04 10.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.073 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -133.03 161.17 42.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.092 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 t -70.42 153.33 43.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.292 0.568 . . . . 0.0 111.814 -173.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.05 5.05 4.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.097 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.09 -24.61 63.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.222 0.534 . . . . 0.0 110.016 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -108.38 130.1 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -150.64 -35.4 0.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.623 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.91 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.826 -175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -61.13 -30.26 70.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.257 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.1 -57.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -67.41 -22.24 65.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 44.6 t80 -62.68 -54.95 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 HD21 ' HD3' ' A' ' 69' ' ' ARG . 88.2 mt -65.49 -38.01 88.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.576 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.544 ' HG3' HG23 ' A' ' 29' ' ' ILE . 36.0 tt0 -59.87 -44.7 94.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.841 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -66.21 -31.67 72.64 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.108 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 22.3 mt-30 -63.83 -53.19 54.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.531 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG21 ' SD ' ' A' ' 16' ' ' MET . 10.8 p -69.0 -36.64 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.78 -41.23 97.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.13 -33.75 76.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.525 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.12 14.47 20.57 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.666 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.17 -40.47 90.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.276 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 65' ' ' GLU . 30.3 pt -135.28 154.67 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -95.22 -175.47 3.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.454 ' HE1' HG11 ' A' ' 28' ' ' VAL . 17.0 mmt -68.83 -33.46 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -173.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 78.8 tttt -54.36 -53.12 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 0.0 109.794 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.41 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 16.8 tp10 -67.08 -39.96 86.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.782 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.71 -48.67 79.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.28 -44.29 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.992 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' HB2' HG12 ' A' ' 128' ' ' VAL . 23.7 ttp85 -60.05 -44.49 94.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.277 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HD3' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.36 -39.91 92.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.205 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.1 -49.75 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.401 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -76.34 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 9.9 ttpp -90.8 4.99 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.505 . . . . 0.0 110.467 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -77.42 142.6 67.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.239 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.91 -31.82 75.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.324 2.683 . . . . 0.0 112.418 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.3 -41.12 98.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.591 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -74.0 -24.3 59.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.154 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.48 ' HA ' HD22 ' A' ' 120' ' ' LEU . 40.1 ttt180 -80.34 -29.99 38.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.029 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -85.13 -37.74 19.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.605 ' HA ' ' HD1' ' A' ' 84' ' ' PHE . 54.3 m-85 67.8 -61.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.782 0.676 . . . . 0.0 111.95 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.82 -33.67 73.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.936 0.494 . . . . 0.0 112.218 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -96.02 -49.03 0.25 Allowed Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 33.9 Cg_exo -62.54 -33.81 77.27 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.1 1.867 . . . . 0.0 112.694 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.605 ' HD1' ' HA ' ' A' ' 80' ' ' PHE . 89.0 m-85 -106.18 166.06 10.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -74.73 148.4 7.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.401 HD21 ' C ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -51.9 -37.87 54.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.839 -178.594 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 m -63.54 -31.16 72.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.898 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -85.92 -34.34 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.93 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.487 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 123' ' ' LEU . 44.2 tp -59.33 -51.41 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.61 -43.05 93.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.464 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.5 -38.39 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.923 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.38 81.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.528 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -57.84 -46.71 84.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.097 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -65.02 -28.32 69.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -83.77 -35.36 24.41 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.945 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.442 HD13 HD13 ' A' ' 127' ' ' LEU . 71.8 mt -94.25 -50.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.622 -175.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.6 mt -89.87 -12.71 38.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 110.548 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.78 0.66 89.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.669 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -154.36 150.63 28.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.79 -178.32 40.62 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.939 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -61.15 150.77 82.88 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.074 2.516 . . . . 0.0 112.552 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -95.0 -38.26 10.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.213 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -130.3 155.5 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.06 -21.35 59.05 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.773 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -61.99 -43.01 99.75 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.04 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.275 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.6 t -58.27 -59.2 3.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.19 -36.72 78.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.403 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.43 -51.79 68.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -83.51 -19.69 35.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.535 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -67.49 -34.55 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.2 t -64.53 -42.94 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.38 -45.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.9 p -71.95 -24.25 22.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.185 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.3 m -84.54 -27.31 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.334 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.4 t -97.28 -63.68 1.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.12 -33.98 38.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.3 179.57 20.13 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.287 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 37.4 tp -62.23 -48.29 88.0 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.496 -0.288 . . . . 0.0 111.694 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.9 Cg_exo -55.51 -33.28 85.83 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.984 1.789 . . . . 0.0 112.5 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.49 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.407 HD21 HD12 ' A' ' 90' ' ' LEU . 59.1 tp -61.18 -48.22 82.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.082 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' A' ' 71' ' ' ALA . 84.5 t -57.38 -44.2 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.452 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.06 -49.79 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.794 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.41 -33.27 73.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.733 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.442 HD13 HD13 ' A' ' 97' ' ' ILE . 93.3 mt -81.96 -42.76 18.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.565 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.503 HG12 ' HB2' ' A' ' 68' ' ' ARG . 99.8 t -74.67 -35.96 39.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.074 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 29.8 t70 -87.29 14.89 7.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.77 0.795 . . . . 0.0 110.337 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -72.89 106.56 4.86 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -68.27 -11.99 60.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.274 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.42 -51.51 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.544 0.688 . . . . 0.0 109.226 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -66.79 -41.39 87.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.964 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.52 ' O ' ' HA2' ' A' ' 138' ' ' GLY . . . -67.5 -24.1 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.774 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.68 -48.32 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.004 0.43 . . . . 0.0 111.077 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -65.69 -49.93 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.486 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -98.36 -41.55 7.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 134' ' ' ALA . . . 107.87 146.43 12.51 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.081 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 9.8 pt-20 -77.07 -5.07 47.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.128 0.49 . . . . 0.0 110.717 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -84.06 -15.57 46.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.67 176.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.504 HG21 ' HG3' ' A' ' 13' ' ' LYS . 86.5 m -90.47 140.62 29.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.337 -169.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.36 121.84 68.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.43 172.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.578 ' HG2' HD13 ' A' ' 36' ' ' ILE . 9.2 Cg_endo -54.12 111.75 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.544 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.9 p90 -116.66 134.49 54.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.26 -13.1 60.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.466 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 69.0 14.17 8.83 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.21 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.4 -123.66 10.4 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.096 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.62 75.46 0.35 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 122.07 0.938 . . . . 0.0 110.005 -174.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.19 -39.13 1.37 Allowed 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.291 -177.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -69.07 120.39 14.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.864 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.09 -48.44 76.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 0.0 110.243 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -85.99 173.34 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -98.67 -112.05 0.16 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.706 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 54.6 65.01 1.62 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -169.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.09 -172.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo . . . . . 0 N--CA 1.474 0.34 0 N-CA-C 110.614 -0.571 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -135.42 135.2 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.577 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -77.94 -5.77 52.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 110.101 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.17 96.97 10.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.186 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -104.42 -36.38 7.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.674 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.3 t30 60.1 94.07 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.08 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.55 23.75 13.22 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.865 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.26 107.96 2.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.462 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' C ' ' HG2' ' A' ' 10' ' ' LYS . . . -173.2 136.32 0.63 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' A' ' 9' ' ' ALA . 32.9 pttt 49.94 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.03 116.2 18.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.12 0.486 . . . . 0.0 111.813 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -102.49 -166.59 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.266 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -113.53 154.78 26.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HB3' HG12 ' A' ' 28' ' ' VAL . 97.2 m-85 -86.64 121.64 29.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.881 0.372 . . . . 0.0 110.313 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.77 144.07 30.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.799 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 13.2 mmt -100.39 105.14 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -135.3 147.29 61.52 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.812 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.65 107.61 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.435 2.09 . . . . 0.0 111.03 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 55.48 0.13 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.79 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.25 156.95 45.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.525 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 5.8 m -81.92 162.21 22.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.357 177.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.31 83.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.73 -36.33 83.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 45.5 mt-10 -66.13 -48.14 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.14 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' O ' HG13 ' A' ' 29' ' ' ILE . 94.7 mttt -62.43 -42.37 99.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.753 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.48 -41.5 76.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.8 81.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.535 HG12 ' HB3' ' A' ' 14' ' ' TYR . 64.7 t -67.3 -48.23 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 25' ' ' LYS . 59.6 mt -57.97 -48.69 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.346 -176.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 93.3 mttt -68.85 -32.74 72.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.218 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.38 -50.83 72.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.935 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 49.5 m-85 -53.54 -43.1 68.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 76.5 mtt180 -60.99 -47.37 86.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.026 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -89.54 -25.32 21.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.4 mm -69.42 -44.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.75 -6.36 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 61.31 20.75 11.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.412 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -161.43 158.12 26.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.9 130.94 34.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.104 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.6 pt -79.82 154.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.87 163.06 27.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.187 -174.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.17 -38.9 68.91 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -15.28 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.62 94.63 9.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.627 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 81.4 p -167.81 -146.68 0.07 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.757 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 67.51 -83.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.506 0.722 . . . . 0.0 110.598 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -67.98 -33.28 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.627 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 56.6 mt -68.05 -47.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.462 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.532 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 9.1 p -70.82 -21.78 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.0 t80 -63.01 -49.8 73.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -37.77 85.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.092 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -56.73 -45.34 81.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.009 175.32 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.2 m -73.26 -25.93 60.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 16.4 mm100 -64.83 -47.13 79.11 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.733 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.89 -30.92 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.601 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.468 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.3 ttp180 -68.1 -33.99 75.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.114 0.483 . . . . 0.0 110.269 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.46 -30.83 70.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.06 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.3 13.17 56.4 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.3 -37.25 66.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 110.125 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 pt -114.73 156.62 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.396 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.5 p -87.32 166.45 14.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.799 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 1.9 tpt -62.09 -36.33 81.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.255 0.55 . . . . 0.0 109.855 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.829 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 32.2 tptt -64.02 -49.09 73.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.871 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.03 -35.39 80.42 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 64.3 t80 -59.66 -45.88 90.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.365 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.1 t -59.43 -44.22 92.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 176.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HD3' ' HB ' ' A' ' 128' ' ' VAL . 9.4 ttp180 -61.06 -46.84 89.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.955 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -62.63 -30.57 71.45 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.8 mt -71.44 -53.0 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.3 -12.6 60.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.863 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.576 ' HG3' ' HA ' ' A' ' 121' ' ' PRO . 80.3 tttt -93.52 1.59 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.46 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 63.4 m -97.94 157.39 34.66 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 111.778 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 11.5 Cg_endo -55.38 -26.25 52.14 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.809 3.006 . . . . 0.0 113.981 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.26 -42.99 96.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.659 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.533 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 65.1 t80 -72.92 -29.76 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.423 0.63 . . . . 0.0 109.566 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -67.9 -50.29 57.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.84 -54.18 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.417 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -86.56 10.35 15.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 73.8 m-85 -132.47 -65.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.32 -28.84 62.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.6 tt0 -66.65 -53.74 26.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.247 -177.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 62.6 Cg_endo -77.1 -39.89 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.678 1.586 . . . . 0.0 112.587 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.5 ' HB3' ' HB2' ' A' ' 88' ' ' ARG . 66.4 m-85 -101.31 113.8 27.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.27 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.0 pt -67.9 -177.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -172.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -41.83 -54.14 3.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.759 -1.11 . . . . 0.0 113.643 -170.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -63.14 -31.78 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -173.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.5 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 72.3 mtt-85 -80.69 -36.15 32.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.7 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.716 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.22 -48.37 81.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.51 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -54.16 46.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.18 -39.32 94.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.597 -176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.99 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.97 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.406 ' HZ ' ' CD2' ' A' ' 111' ' ' TYR . 8.2 m-85 -58.37 -37.55 75.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.539 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.407 ' HB3' HD21 ' A' ' 145' ' ' LEU . 48.3 mtt180 -79.52 -15.98 56.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.876 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.3 -44.51 7.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.75 0.309 . . . . 0.0 110.98 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 124' ' ' VAL . 92.7 mt -73.8 -40.98 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.15 0.5 . . . . 0.0 111.48 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 133' ' ' TYR . 71.7 mt -116.67 -23.98 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.413 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.1 27.88 73.42 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -171.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -112.77 -76.66 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.858 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 -178.08 16.45 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.546 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.91 106.06 1.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.36 2.04 . . . . 0.0 111.895 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -57.37 -69.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.991 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 m -139.76 179.05 6.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.427 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 105' ' ' ARG . 17.2 ptt180 -57.48 -45.55 84.73 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -172.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.67 -34.73 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.054 -176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 6.0 mp0 -63.24 -44.56 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 104' ' ' SER . 97.6 t -57.23 -56.23 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.419 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.954 -176.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.06 -57.56 12.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.71 0.29 . . . . 0.0 111.127 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 83.4 m-85 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.434 -175.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -62.2 -38.98 91.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 110.04 174.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.0 m -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -45.71 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.737 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.509 ' O ' ' HA2' ' A' ' 119' ' ' GLY . 8.4 p -72.92 -18.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.985 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -84.99 -43.25 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.721 0.296 . . . . 0.0 110.243 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -72.55 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.66 -44.1 4.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.959 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . 114.23 -165.22 12.04 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.983 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.45 -49.03 96.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.576 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 82.6 Cg_exo -48.67 -40.16 38.18 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 122.125 1.883 . . . . 0.0 112.681 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.66 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.772 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.121 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.419 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 93.2 t -62.15 -43.13 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.931 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.61 -35.24 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 64.6 t -83.95 -40.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.784 -0.367 . . . . 0.0 111.911 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.44 -17.83 60.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 t -67.39 127.39 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -56.74 -36.51 69.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.695 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 132' ' ' GLU . 20.9 mp0 -59.58 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.592 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 35.3 m-85 -74.77 -23.02 58.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.876 -177.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.829 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -75.36 -44.64 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.99 -58.99 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.872 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.35 -34.33 76.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.779 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.592 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 93.4 m-85 -96.22 3.21 53.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 135.92 0.88 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.151 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 9.3 pt-20 -104.72 -15.9 15.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 174.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.11 -43.99 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 8.0 m -88.1 147.85 24.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.173 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.437 HG22 ' SD ' ' A' ' 63' ' ' MET . 15.3 t -73.55 128.48 87.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.75 126.7 21.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.897 2.398 . . . . 0.0 112.776 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -116.91 136.36 53.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.501 . . . . 0.0 111.383 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 145' ' ' LEU . 5.1 mp -93.44 -7.79 43.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.471 ' HG2' ' OE1' ' A' ' 149' ' ' GLU . 65.1 mtt-85 -59.72 111.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.158 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 124.91 -39.74 2.04 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.3 tt -100.05 -19.49 16.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.471 ' OE1' ' HG2' ' A' ' 146' ' ' ARG . 7.2 pt-20 -64.01 93.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.511 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -143.25 145.33 32.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.41 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -85.16 132.55 34.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -52.22 137.68 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.747 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.71 -164.54 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.979 -171.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -41.84 121.75 1.86 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.056 0.848 . . . . 0.0 112.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.492 176.283 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.477 0.554 0 N-CA-C 111.392 -0.272 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 56.95 80.63 0.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.661 0.6 . . . . 0.0 109.841 -175.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 m 61.13 89.75 0.07 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.196 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.465 ' HD2' HD21 ' A' ' 6' ' ' ASN . 52.7 p90 -74.36 151.93 39.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.307 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -99.6 -66.17 0.92 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -171.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.465 HD21 ' HD2' ' A' ' 4' ' ' TYR . 33.6 m-80 55.83 67.9 0.94 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -173.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.86 169.55 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' A' ' 10' ' ' LYS . . . -83.87 -71.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.172 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.03 -10.64 0.16 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.654 0.782 . . . . 0.0 112.593 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 8' ' ' ALA . 40.8 mtmt -84.6 84.04 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.2 0.524 . . . . 0.0 111.277 -176.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 11' ' ' ARG . 36.4 ttp-105 -164.52 148.54 9.35 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -75.85 151.36 37.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.372 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.99 -151.98 0.48 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.121 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' HB3' HG23 ' A' ' 28' ' ' VAL . 91.2 m-85 -63.78 140.31 58.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.984 0.421 . . . . 0.0 111.316 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . . . -147.26 142.81 27.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.104 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mmt -82.41 98.65 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 111.205 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HE3' ' HB3' ' A' ' 15' ' ' ALA . 89.4 mttt -122.71 137.04 27.33 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.41 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.4 Cg_exo -71.45 113.29 3.57 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.837 2.358 . . . . 0.0 110.926 171.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.7 -0.81 5.9 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.08 156.24 18.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.681 0.277 . . . . 0.0 110.413 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -67.84 157.35 35.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.185 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.19 95.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.895 0.378 . . . . 0.0 110.978 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.44 -31.1 71.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.553 ' O ' HG22 ' A' ' 28' ' ' VAL . 7.2 tp10 -67.55 -48.81 65.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.64 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.33 -44.49 84.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.292 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.09 -41.64 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.77 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.808 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 24' ' ' GLU . 58.1 t -56.34 -44.29 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.553 HG22 ' HG2' ' A' ' 53' ' ' GLU . 63.5 mt -63.87 -51.25 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.589 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.5 -31.51 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.81 0.338 . . . . 0.0 110.641 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.98 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.63 -47.67 82.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.406 ' HD1' ' HE2' ' A' ' 37' ' ' PHE . 44.8 m-85 -61.05 -44.65 97.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.538 ' HD2' ' O ' ' A' ' 39' ' ' ARG . 27.4 tpt180 -53.77 -45.05 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.527 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.463 HE22 ' HB3' ' A' ' 144' ' ' TYR . 26.3 tt0 -87.82 -44.01 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.369 -0.378 . . . . 0.0 112.007 -174.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.496 HD13 HG23 ' A' ' 67' ' ' VAL . 20.6 mt -70.38 -43.24 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.599 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' HE2' ' HD1' ' A' ' 33' ' ' TYR . 92.6 m-85 -84.27 -9.06 58.81 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.031 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 61.09 25.49 15.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.928 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.538 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 16.6 ttm180 -150.4 -91.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.89 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 32.3 t70 162.98 144.26 0.01 OUTLIER 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 -177.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 pt -102.25 156.43 4.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.821 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 45' ' ' TYR . 6.8 m -67.62 143.81 55.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.875 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -66.45 -14.77 62.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.913 0.387 . . . . 0.0 111.234 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.11 31.0 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.196 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.406 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 5.0 t80 -80.01 82.44 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 m 68.64 146.49 0.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.417 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -81.74 -25.24 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.008 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 t -65.09 -39.2 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.255 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -67.56 -41.02 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 p -74.08 -26.14 60.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.674 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.12 -40.17 96.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.281 0.562 . . . . 0.0 109.658 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 48' ' ' SER . 69.1 mt -63.8 -38.39 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.799 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.553 ' HG2' HG22 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -63.19 -49.69 73.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.55 177.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -51.32 -42.63 61.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.65 -46.31 83.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.979 -178.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.21 -29.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.657 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -47.7 80.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.044 0.45 . . . . 0.0 109.983 175.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.1 -29.39 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.141 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.7 27.99 11.94 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.021 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.79 -35.71 38.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 pt -116.6 149.26 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.626 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -76.98 165.15 25.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.569 ' SD ' HG22 ' A' ' 142' ' ' VAL . 2.5 ttm -71.32 -28.12 63.87 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.178 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HE2' ' NH2' ' A' ' 68' ' ' ARG . 1.4 tmtp? -63.53 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.11 -45.75 76.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 110.127 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.03 -48.17 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.12 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG23 HD13 ' A' ' 36' ' ' ILE . 78.0 t -59.73 -47.37 91.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.123 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.495 ' HD3' ' OD1' ' A' ' 125' ' ' ASP . 11.7 ttm-85 -61.59 -39.42 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.281 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' HD22 ' A' ' 52' ' ' LEU . 19.2 ttm180 -72.2 -36.3 69.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.802 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.48 -40.69 63.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.048 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.21 -17.53 59.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.524 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.673 ' HD2' ' HB2' ' A' ' 125' ' ' ASP . 44.6 mtpt -103.04 17.58 23.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.636 0.255 . . . . 0.0 110.846 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -74.39 151.84 87.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.353 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.58 -33.91 80.65 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.85 2.367 . . . . 0.0 112.095 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.8 tp -67.53 -49.85 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.962 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.73 -37.08 86.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.379 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.516 ' HA ' HD22 ' A' ' 120' ' ' LEU . 75.9 ttt180 -67.71 -29.97 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.925 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -77.85 -17.49 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.229 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 15.3 mm100 -95.94 143.08 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.688 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.453 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 70.3 m-85 68.39 -60.44 0.42 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.658 0.783 . . . . 0.0 112.88 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.485 ' HB2' HD23 ' A' ' 120' ' ' LEU . 82.5 t80 -62.94 -33.02 74.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.708 0.29 . . . . 0.0 111.749 -174.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.4 tm-20 -78.3 -57.68 0.88 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.392 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 46.9 Cg_endo -69.81 -39.44 6.41 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.852 1.701 . . . . 0.0 113.65 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.453 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 99.1 m-85 -97.41 165.13 12.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.765 0.317 . . . . 0.0 110.695 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -77.27 149.13 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.302 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -52.85 -36.6 59.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.886 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -64.47 -22.28 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.728 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.64 -36.74 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.8 86.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.385 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.434 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 48.0 tp -56.74 -50.93 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.87 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.82 -46.49 89.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.54 -40.32 96.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.64 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.36 69.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.026 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.468 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 30.5 m-85 -56.24 -45.39 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.52 -37.28 77.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.752 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -76.75 -30.79 56.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -96.08 -48.78 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.678 0.275 . . . . 0.0 111.598 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.45 -25.99 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.444 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.738 ' HA2' ' HG ' ' A' ' 145' ' ' LEU . . . 96.43 5.04 59.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.913 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -138.42 -70.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.321 0.582 . . . . 0.0 110.615 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 141.94 -149.55 21.26 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -174.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HB3' HG23 ' A' ' 108' ' ' VAL . 15.9 Cg_exo -69.52 132.03 22.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.752 2.302 . . . . 0.0 112.152 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -81.3 -39.76 24.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.483 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 108' ' ' VAL . 64.6 p -146.41 163.95 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.559 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -72.81 -21.86 60.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.791 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -75.65 -36.9 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.96 -39.56 90.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 104' ' ' SER . 94.5 t -55.51 -52.23 49.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.288 174.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.63 -35.32 80.63 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.67 -177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -61.76 -47.85 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.1 m-85 -81.58 -19.56 41.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.378 . . . . 0.0 110.056 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -71.31 -29.52 65.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.916 0.389 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.9 mt -68.53 -50.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.99 -23.59 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.3 t -84.83 -18.63 34.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.603 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.8 t -85.59 -50.21 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.96 -37.17 2.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.542 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.33 -165.58 13.73 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.537 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 36.9 tp -60.34 -49.42 90.52 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.477 -0.297 . . . . 0.0 111.647 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 71.5 Cg_exo -51.61 -39.08 66.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.086 1.857 . . . . 0.0 112.77 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.7 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.51 -52.04 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.2 t -58.91 -46.89 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.053 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.673 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 23.1 t70 -58.83 -47.33 85.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.614 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.22 75.84 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 111.368 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.01 -54.78 15.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.413 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 53.6 t -66.41 -35.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.0 111.022 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.71 -37.57 76.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.036 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.1 p -46.33 124.01 5.33 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 112.514 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.5 mm100 -72.51 -19.39 61.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.68 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.83 -52.42 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -67.4 -38.49 84.76 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.833 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -64.83 -32.67 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.748 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -80.57 -30.78 36.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -75.26 -47.25 28.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.263 -176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.18 -40.25 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 111.517 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.97 174.55 19.66 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.116 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 12.6 pt-20 -90.71 -9.78 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.337 0.589 . . . . 0.0 110.104 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.523 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 7.2 pt-20 -99.98 -32.52 10.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.933 -171.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.9 m -81.02 145.52 31.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.551 -172.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.569 HG22 ' SD ' ' A' ' 63' ' ' MET . 45.5 t -71.35 116.62 49.07 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 171.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -59.0 113.46 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.976 2.451 . . . . 0.0 111.946 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.558 ' HD1' ' O ' ' A' ' 142' ' ' VAL . 44.8 p90 -136.04 169.54 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.738 ' HG ' ' HA2' ' A' ' 99' ' ' GLY . 6.3 mp -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.393 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -115.16 -47.07 2.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.3 13.02 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.807 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.38 131.22 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.977 0.418 . . . . 0.0 110.684 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -104.17 -165.91 1.2 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -158.99 75.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.054 173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -75.17 90.58 2.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.552 0.691 . . . . 0.0 110.965 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -155.55 42.97 0.43 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -100.42 17.28 21.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.762 -170.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.91 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -170.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.644 173.611 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.479 0.633 0 N-CA-C 110.928 -0.451 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -122.18 168.49 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m 61.12 22.47 12.76 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.767 0.667 . . . . 0.0 111.83 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -80.9 92.08 6.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -178.98 124.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.858 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -133.12 118.97 19.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 0.0 110.587 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.85 -55.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.435 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.65 175.99 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.48 87.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.386 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm 64.39 17.37 10.75 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.589 0.556 . . . . 0.0 112.256 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -89.16 90.51 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 66.47 109.67 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.044 167.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' A' ' 13' ' ' LYS . 20.1 ptmt -160.99 136.58 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 173.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -90.7 106.85 18.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.24 155.95 41.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.761 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.466 ' HE3' HG22 ' A' ' 56' ' ' VAL . 19.3 mmt -83.04 109.84 17.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 0.0 109.854 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 39.9 mtmt -101.01 149.69 36.44 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 -173.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.38 108.86 1.26 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.471 2.114 . . . . 0.0 111.65 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.35 43.93 23.67 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.588 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -95.89 151.62 19.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 110.66 179.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -74.87 159.61 31.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.073 0.463 . . . . 0.0 111.6 -170.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.57 77.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.278 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.39 -47.18 85.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.188 0.518 . . . . 0.0 110.359 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 28' ' ' VAL . 29.2 mt-10 -60.48 -44.66 95.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.668 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.6 ttmt -63.62 -47.37 81.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.299 -1.318 . . . . 0.0 111.698 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.65 -45.19 81.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 0.0 110.756 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.79 -43.31 94.49 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.138 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.482 HG11 ' HE3' ' A' ' 63' ' ' MET . 90.9 t -67.13 -43.41 88.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 25' ' ' LYS . 76.8 mt -60.01 -48.8 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 30' ' ' LYS . 9.0 mtpm? -65.09 -37.51 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.719 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.53 87.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.563 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.08 82.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.635 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -64.51 -36.16 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.78 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.727 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.6 mtp85 -75.35 -9.19 58.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -104.41 -44.38 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.072 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.13 -53.44 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.076 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.49 -5.89 28.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.599 . . . . 0.0 109.856 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.727 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 40.2 mt-10 60.35 28.54 18.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.96 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -173.07 147.76 1.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 16.9 m-20 -72.7 96.91 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -57.82 136.16 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.0 111.473 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -84.55 142.6 29.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.191 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? 46.29 20.67 0.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.42 1.088 . . . . 0.0 113.054 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 66.51 -0.3 1.58 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.515 0.726 . . . . 0.0 112.547 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 67.12 -58.93 0.4 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.325 0.65 . . . . 0.0 112.606 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' HB3' HG12 ' A' ' 49' ' ' ILE . 46.6 t -127.57 147.31 50.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.698 0.285 . . . . 0.0 110.236 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.51 -29.05 68.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 0.0 110.589 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 43.8 m -57.33 -37.33 72.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.331 175.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 46' ' ' SER . 50.6 mm -68.53 -41.47 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.135 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.0 m -60.83 -35.54 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 48.8 t80 -69.89 -41.48 74.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.112 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 48' ' ' SER . 97.2 mt -61.82 -43.26 99.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.92 -46.88 78.34 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.306 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -61.22 -39.39 90.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.224 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 47.3 mt-30 -65.85 -46.55 78.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 0.0 111.438 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG22 ' HE3' ' A' ' 16' ' ' MET . 8.0 p -73.52 -24.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.063 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -69.14 -33.49 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.928 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -91.7 0.4 57.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.873 0.368 . . . . 0.0 110.678 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 23.69 77.73 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.284 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.97 -34.16 57.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 0.0 109.81 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.7 pt -123.93 145.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.101 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.8 p -74.33 170.36 15.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.482 ' HE3' HG11 ' A' ' 28' ' ' VAL . 4.7 mmt -66.62 -32.78 74.33 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.633 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.25 -44.62 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.727 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 11.3 mm-40 -66.16 -46.82 76.07 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.947 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.465 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 38.8 t80 -54.03 -47.51 71.49 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.556 0.535 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.05 -41.81 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -61.09 -38.58 86.78 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 110.385 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.727 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 8.0 mmt85 -72.84 -38.72 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 88.5 mt -64.45 -42.07 96.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.548 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . . . -69.01 -28.19 66.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 14.7 tmtt? -77.25 -22.17 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.114 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.3 m -64.17 137.47 97.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.795 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.83 -34.99 68.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.343 2.695 . . . . 0.0 113.434 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 54.3 tp -58.03 -58.46 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.752 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 67.9 t80 -64.32 -41.38 96.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -54.29 -50.29 67.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.931 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.556 ' HG3' ' HG2' ' A' ' 82' ' ' GLU . 73.5 tttt -71.44 -32.5 68.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.811 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 28.4 mm-40 -54.24 -35.79 62.86 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.484 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 78.1 m-85 -115.64 13.17 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.601 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -109.84 -37.9 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 79.2 mm-40 -73.34 -55.47 3.64 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 11.8 Cg_endo -90.73 -4.76 4.62 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.346 2.031 . . . . 0.0 113.133 -174.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 95.6 m-85 -120.24 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.203 0.525 . . . . 0.0 111.155 -175.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.93 162.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.684 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -45.99 -49.76 15.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.201 0.6 . . . . 0.0 111.739 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -55.82 -44.81 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.108 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -82.02 -33.86 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.923 -175.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.51 86.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.076 0.465 . . . . 0.0 109.838 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.87 -46.35 90.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.392 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -59.7 -47.27 86.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.89 -29.94 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.236 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.68 -51.07 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.94 -27.85 69.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -48.29 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.451 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.43 -21.56 20.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.387 -168.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.5 mt -95.78 -62.7 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.144 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 127' ' ' LEU . 5.0 mp -84.77 -34.86 22.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.98 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.1 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.693 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -139.67 -74.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 110.565 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.13 173.51 13.41 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.739 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.0 Cg_exo -72.75 124.6 9.85 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.863 2.376 . . . . 0.0 111.772 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.0 p -73.54 -67.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.29 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.493 ' O ' HG21 ' A' ' 108' ' ' VAL . 24.1 t -145.74 173.83 11.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.934 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -53.81 -32.51 52.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.579 0.549 . . . . 0.0 112.353 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.5 -57.6 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 111.077 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' OE1' ' HD3' ' A' ' 110' ' ' LYS . 4.2 tp10 -65.59 -35.42 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.907 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 104' ' ' SER . 88.2 t -60.89 -57.14 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.164 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.77 -36.6 81.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.707 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.454 ' HD3' ' OE1' ' A' ' 107' ' ' GLU . 68.4 tttt -53.72 -51.48 63.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.434 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -83.32 -23.7 32.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -62.03 -36.45 81.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.023 0.439 . . . . 0.0 110.208 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.93 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.5 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -70.49 -25.72 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.708 -177.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 p -84.48 -46.1 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.781 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -84.42 -56.52 3.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.7 -36.72 52.98 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.243 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.16 170.57 17.0 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.56 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.3 tp -58.88 -50.04 90.15 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.726 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -57.01 -38.83 95.03 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.848 1.699 . . . . 0.0 112.287 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.95 99.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.581 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.5 HD22 ' HB ' ' A' ' 115' ' ' VAL . 39.8 tp -61.49 -53.9 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.366 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 71' ' ' ALA . 86.6 t -57.84 -43.43 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.105 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.99 -44.84 83.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.289 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.8 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.283 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.503 ' HB3' HD13 ' A' ' 98' ' ' LEU . 94.3 mt -78.97 -43.91 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.98 -44.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.707 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.29 8.66 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.2 t -53.5 121.98 8.82 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.127 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -60.41 -37.2 80.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.528 ' O ' ' HD2' ' A' ' 136' ' ' TYR . 2.0 mp0 -57.3 -56.35 22.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.823 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.476 ' CE1' ' HA ' ' A' ' 98' ' ' LEU . 84.0 t80 -56.62 -46.25 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.026 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.17 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.958 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.21 -46.66 12.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 111.151 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.528 ' HD2' ' O ' ' A' ' 132' ' ' GLU . 77.5 m-85 -70.8 -45.65 64.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.697 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -91.97 -36.34 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 111.379 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.14 130.55 5.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.478 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.68 -14.92 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.794 0.331 . . . . 0.0 111.432 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.02 -22.77 36.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.824 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.7 m -88.73 143.51 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.95 133.42 65.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -39.92 117.74 0.45 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.373 2.715 . . . . 0.0 112.158 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.65 81.29 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.289 0.566 . . . . 0.0 111.427 -175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 72.3 mt -103.13 119.24 38.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.101 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -82.14 -12.7 58.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 109.126 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.18 -141.54 15.34 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.029 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -156.21 40.85 0.37 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -32.61 106.0 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.873 1.358 . . . . 0.0 113.312 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -127.38 69.89 1.3 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.822 -1.081 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -73.63 96.02 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.583 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -89.36 -10.74 45.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.493 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -148.88 135.47 19.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -142.38 163.09 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.113 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.155 178.484 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.457 ' H2 ' ' H ' ' A' ' 2' ' ' GLN . 4.3 Cg_exo . . . . . 0 N--CA 1.483 0.87 0 CA-C-O 120.645 0.185 . . . . 0.0 111.896 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.457 ' H ' ' H2 ' ' A' ' 1' ' ' PRO . 24.4 mm-40 -136.75 -25.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -178.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -79.1 89.67 4.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.151 0.501 . . . . 0.0 111.013 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -120.77 -52.27 2.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.203 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.6 29.44 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.071 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.9 t30 71.49 104.24 0.07 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.538 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.71 51.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.35 88.94 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.465 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.27 142.84 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.107 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -126.44 -71.66 0.68 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.994 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.0 56.22 3.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.337 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -84.67 -13.09 52.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.745 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -131.72 111.95 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.38 0.61 . . . . 0.0 110.888 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.52 ' HB3' HG21 ' A' ' 28' ' ' VAL . 93.0 m-85 -94.49 132.38 39.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.707 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 17' ' ' LYS . . . -127.85 135.98 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.508 ' HE1' HG22 ' A' ' 56' ' ' VAL . 54.7 tpp -83.19 45.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.022 0.915 . . . . 0.0 108.725 173.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.663 ' HG3' ' HB3' ' A' ' 20' ' ' LEU . 17.0 pttm -52.01 138.52 35.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.515 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.65 113.97 1.48 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.088 2.525 . . . . 0.0 112.862 -176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.73 48.75 6.46 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.739 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -104.45 155.79 18.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.958 0.409 . . . . 0.0 111.578 -177.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -68.59 162.99 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.752 -168.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 -50.53 67.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.813 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.89 -40.94 81.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.1 mm-40 -58.08 -51.89 67.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.491 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 33.8 ttmt -61.75 -43.2 99.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.316 -174.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -58.74 -39.94 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.46 -38.17 74.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 24' ' ' GLU . 84.0 t -62.51 -48.68 87.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.525 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 53' ' ' GLU . 75.6 mt -63.92 -36.77 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.75 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -62.47 -45.74 91.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.65 86.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.92 -55.08 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.275 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -65.88 -29.8 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 33.5 ttt180 -79.85 -12.21 59.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 6.1 tp-100 -106.74 -45.31 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.61 0.243 . . . . 0.0 111.573 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.33 -57.14 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' HE2' HD22 ' A' ' 70' ' ' LEU . 76.4 m-85 -99.45 0.96 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.072 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 52.6 mt-10 57.24 23.01 8.24 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.573 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 58.28 29.53 18.2 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.929 0.871 . . . . 0.0 111.249 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.26 -23.13 63.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -63.17 153.68 6.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.639 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 p -118.54 160.41 21.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.572 0.701 . . . . 0.0 111.686 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.06 145.97 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.062 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 74.95 15.5 3.04 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.834 0.709 . . . . 0.0 111.431 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.86 177.47 0.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.707 0.289 . . . . 0.0 110.871 170.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -50.9 135.61 24.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.054 0.454 . . . . 0.0 111.897 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -15.8 61.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.183 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -63.1 -32.07 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.58 -42.19 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.123 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.103 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.07 -42.62 85.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.262 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.5 mt -65.61 -42.71 91.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.802 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HG3' HG22 ' A' ' 29' ' ' ILE . 32.7 tt0 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.6 t -59.32 -41.62 89.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.78 -40.97 68.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.015 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG22 ' HE1' ' A' ' 16' ' ' MET . 10.6 p -72.41 -29.33 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.222 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -67.6 -33.5 75.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.113 0.482 . . . . 0.0 110.346 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -87.87 3.54 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.07 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.83 22.54 68.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.487 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.11 -38.99 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.294 0.569 . . . . 0.0 109.72 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -114.69 137.62 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.638 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -73.24 164.94 25.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.112 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.0 tpp -61.37 -42.73 99.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.316 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HE3' ' O ' ' A' ' 128' ' ' VAL . 83.3 tttt -54.68 -39.3 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 175.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.82 -41.11 60.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.584 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.5 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 53.0 t80 -59.75 -50.07 75.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.12 -43.18 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.695 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -56.44 -53.12 61.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.344 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -58.05 -45.45 87.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 74.4 mt -58.68 -52.91 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 111.43 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB2' HG13 ' A' ' 124' ' ' VAL . . . -75.39 -15.12 60.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.593 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -91.1 -10.53 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.11 0.481 . . . . 0.0 109.865 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -71.74 149.79 93.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.181 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 77' ' ' ARG . 66.5 Cg_exo -52.77 -25.6 27.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.329 2.686 . . . . 0.0 113.114 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.83 86.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -81.31 -23.34 37.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.293 0.568 . . . . 0.0 110.058 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.5 ' HA ' HD23 ' A' ' 120' ' ' LEU . 74.3 mtp180 -70.48 -23.05 62.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.178 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -93.82 -64.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.67 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 19.8 mt-30 -78.75 143.85 35.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.033 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 76.5 m-85 73.35 4.87 4.94 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.923 0.764 . . . . 0.0 111.757 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.48 -66.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.45 -49.88 90.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.22 9.34 1.8 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.732 1.621 . . . . 0.0 113.012 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.53 160.25 32.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.24 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.12 154.72 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.61 -37.76 42.07 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -69.86 -25.56 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.346 . . . . 0.0 111.541 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -81.57 -45.39 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.484 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -29.7 71.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.762 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.505 HD11 HD21 ' A' ' 123' ' ' LEU . 23.0 tp -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.806 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.08 -38.81 86.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.885 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.11 -44.61 94.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.62 68.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.798 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 16.3 m-85 -58.06 -40.85 82.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.545 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -68.49 -27.76 66.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -86.03 -22.6 27.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.478 HD11 HG11 ' A' ' 124' ' ' VAL . 72.1 mt -101.72 -59.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.679 -176.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.2 mt -93.92 -26.18 16.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.109 0.48 . . . . 0.0 110.715 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.28 10.77 61.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.84 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.64 ' HB2' ' HA3' ' A' ' 147' ' ' GLY . 2.0 tpm_? -155.85 130.68 9.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.44 ' HA2' ' CB ' ' A' ' 94' ' ' PHE . . . -84.67 169.02 44.41 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' HB2' HG23 ' A' ' 108' ' ' VAL . 36.9 Cg_endo -64.66 145.36 86.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.841 2.361 . . . . 0.0 111.82 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -121.71 -30.77 4.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.801 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 108' ' ' VAL . 15.1 m -94.13 149.05 21.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.678 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.93 -45.14 82.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.268 -0.173 . . . . 0.0 111.196 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.81 -40.76 85.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.835 0.826 . . . . 0.0 109.586 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.92 -51.07 66.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.75 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 104' ' ' SER . 75.3 t -58.32 -49.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.35 -41.29 84.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.559 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 114' ' ' ILE . 66.0 tttm -58.6 -51.7 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -75.36 -31.3 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.89 -37.12 85.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 0.0 110.317 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.2 m -71.62 -27.99 63.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.779 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 110' ' ' LYS . 85.2 mt -70.96 -51.25 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 120' ' ' LEU . 14.9 p -66.77 -31.64 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.707 -176.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.2 p -78.94 -35.69 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.84 0.352 . . . . 0.0 111.579 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 m -86.44 -44.77 11.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.685 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.22 -15.4 32.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.05 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.5 168.41 30.05 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 39.5 tp -59.18 -49.78 91.16 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 14.7 Cg_endo -57.33 -23.72 56.23 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.401 2.068 . . . . 0.0 113.037 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.66 -43.68 25.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.52 HD23 ' HB ' ' A' ' 115' ' ' VAL . 30.7 tp -58.61 -50.48 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.391 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 97' ' ' ILE . 77.8 t -61.75 -43.74 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.88 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 121' ' ' PRO . 1.9 t70 -60.41 -44.16 96.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.535 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.38 97.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.141 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.34 -49.85 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.542 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.576 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 59.3 t -68.8 -34.49 64.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 111.257 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.13 -31.96 71.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.0 p -50.11 131.82 23.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.331 0.586 . . . . 0.0 112.356 -171.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.98 -32.26 73.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.049 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.43 -51.67 61.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.337 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.518 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 55.5 t80 -64.98 -52.74 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.97 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.447 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . . . -61.17 -42.94 99.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.79 -41.73 18.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -77.39 -33.11 55.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.753 0.311 . . . . 0.0 111.28 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.523 ' CD2' ' HD3' ' A' ' 146' ' ' ARG . 91.6 m-85 -102.95 -41.33 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.247 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 120.39 135.91 5.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.079 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -7.89 47.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.218 0.533 . . . . 0.0 111.147 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.55 -14.14 15.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.026 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.5 m -90.09 142.64 27.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.2 130.28 91.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.8 Cg_exo -54.86 111.82 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.313 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -119.05 164.74 15.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.458 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 73.2 mt -68.14 93.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.422 . . . . 0.0 110.762 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.523 ' HD3' ' CD2' ' A' ' 137' ' ' PHE . 74.0 ttt180 -113.27 13.84 19.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.61 0.719 . . . . 0.0 109.677 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.64 ' HA3' ' HB2' ' A' ' 100' ' ' ARG . . . -87.35 84.37 1.54 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.439 176.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.29 -73.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.024 0.44 . . . . 0.0 111.751 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.55 159.47 12.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 -174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -91.13 126.44 36.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -106.13 -25.47 12.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.838 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -80.05 70.25 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.376 0.608 . . . . 0.0 110.76 175.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -118.95 42.21 2.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.717 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -72.83 127.35 32.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.615 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.954 178.228 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.478 0.581 0 N-CA-C 110.522 -0.607 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -151.36 151.85 32.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -130.83 -52.03 1.05 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.06 96.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -105.77 -33.36 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -71.85 111.58 7.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.035 0.445 . . . . 0.0 110.634 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.19 13.23 28.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.06 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.1 125.18 53.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.032 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.85 -72.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.076 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 54.16 -156.55 0.21 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.252 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 68.91 105.98 0.05 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.397 0.617 . . . . 0.0 112.263 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -115.29 8.61 15.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.079 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.86 155.24 38.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.732 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HB3' HG12 ' A' ' 28' ' ' VAL . 78.4 m-85 -65.09 104.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 111.092 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -133.56 138.4 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.587 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 tpp -82.33 86.63 6.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' HE3' HD21 ' A' ' 20' ' ' LEU . 53.4 pttt -117.07 136.1 23.24 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.62 120.12 7.82 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.708 2.272 . . . . 0.0 111.483 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.81 -21.67 4.17 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.493 HD21 ' HE3' ' A' ' 17' ' ' LYS . 83.5 mt -79.59 148.55 31.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.627 0.251 . . . . 0.0 110.407 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -84.51 171.18 12.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -22.47 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.62 -50.42 37.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.7 mp0 -61.9 -45.08 95.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.299 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.45 -38.38 77.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -58.62 -44.37 89.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.11 77.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.355 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HB3' ' A' ' 14' ' ' TYR . 87.2 t -62.0 -52.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 110.74 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.525 HG21 ' HG3' ' A' ' 53' ' ' GLU . 38.8 mt -67.48 -35.77 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.482 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.29 -44.6 88.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.961 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.92 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.729 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HG23 ' A' ' 29' ' ' ILE . 46.8 m-85 -59.57 -40.37 87.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.015 177.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -67.88 -52.04 41.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.038 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.17 -32.73 74.03 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.675 ' HA ' ' HE2' ' A' ' 96' ' ' HIS . 58.2 mt -91.38 -43.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' HE2' HD12 ' A' ' 70' ' ' LEU . 79.8 m-85 -107.77 -31.87 7.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 64.27 15.31 9.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.93 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 61.16 86.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.594 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.98 11.56 4.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.517 HD11 HD11 ' A' ' 49' ' ' ILE . 10.3 pt -84.39 150.36 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.938 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -156.55 -169.7 3.1 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.089 -174.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 23.9 pttm -58.63 100.47 0.07 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.682 0.754 . . . . 0.0 110.858 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 172.67 -38.15 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.797 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.6 -70.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.316 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 t 56.8 -84.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.894 0.878 . . . . 0.0 113.315 170.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.29 -34.0 77.12 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 -171.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -66.59 -26.37 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.511 . . . . 0.0 110.333 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.517 HD11 HD11 ' A' ' 41' ' ' ILE . 67.4 mt -73.79 -54.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.383 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.5 -31.33 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.5 t80 -58.44 -56.68 19.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.083 176.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.76 -37.06 85.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG3' HG21 ' A' ' 29' ' ' ILE . 35.3 tt0 -57.56 -46.79 83.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -67.74 -38.36 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 17.7 mm100 -62.43 -41.2 98.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.323 . . . . 0.0 111.214 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.37 -25.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -68.63 -43.48 76.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.209 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.01 -37.45 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.456 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.05 17.42 7.31 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.817 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -36.76 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -128.95 149.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.192 174.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 t -89.84 -179.85 5.82 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 38.3 tpp -64.24 -28.25 69.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 109.738 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 80.1 tttt -57.43 -46.36 83.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.459 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 4.3 mp0 -74.84 -39.14 61.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.4 t80 -60.17 -56.93 15.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 36' ' ' ILE . 89.0 t -61.96 -43.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 21.4 ttp180 -61.45 -43.6 98.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.344 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -71.44 -33.51 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.2 mt -69.76 -40.16 76.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 110.619 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' HB2' HG13 ' A' ' 124' ' ' VAL . . . -73.73 -21.28 60.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 62.7 pttt -108.57 20.43 18.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 0.0 110.476 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -73.51 157.73 87.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -25.41 70.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 111.974 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.9 tp -72.2 -46.43 56.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.458 ' HD2' HD23 ' A' ' 120' ' ' LEU . 10.7 t80 -70.31 -20.01 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.397 0.618 . . . . 0.0 109.787 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -80.8 -41.67 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.225 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 62.7 mmtt -76.13 -41.51 49.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -90.04 174.32 7.71 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 169.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.635 ' HE1' ' HB3' ' A' ' 92' ' ' LEU . 77.0 t80 65.89 -70.71 0.09 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.41 -29.42 64.89 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.787 0.435 . . . . 0.0 111.625 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.602 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 9.9 tp10 -88.27 -53.96 0.35 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 24.1 Cg_exo -64.09 -33.71 60.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.054 1.836 . . . . 0.0 112.824 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -105.34 157.69 17.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.085 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.6 tt -77.06 149.39 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.246 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -52.18 -38.7 58.55 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.1 p -59.97 -49.88 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 110.848 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -67.68 -35.96 79.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.132 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.815 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.483 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 25.0 tp -57.13 -44.22 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.306 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.13 -49.07 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.635 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 5.4 tt -64.53 -40.28 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.05 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 13.7 m-85 -57.9 -38.2 75.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.479 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.522 ' O ' HD22 ' A' ' 145' ' ' LEU . 39.4 ttm180 -83.21 -18.04 40.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.566 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.675 ' HE2' ' HA ' ' A' ' 36' ' ' ILE . 3.2 t-160 -85.59 -30.15 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.918 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.482 HD13 HD12 ' A' ' 127' ' ' LEU . 74.2 mt -102.24 -47.88 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.91 0.386 . . . . 0.0 111.227 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD12 HD21 ' A' ' 127' ' ' LEU . 52.3 mt -100.18 -17.29 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 -175.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.89 18.32 68.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.804 -175.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 100' ' ' ARG . 5.1 tpp180 -97.8 -79.51 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 0.0 111.45 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.16 143.69 12.14 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.76 116.83 3.44 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.979 2.453 . . . . 0.0 112.574 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -115.07 -21.58 9.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.003 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 m -128.07 147.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.698 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -69.49 -35.95 76.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.681 0.276 . . . . 0.0 110.302 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.2 -44.49 97.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.3 -49.49 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.552 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 104' ' ' SER . 61.8 t -57.41 -56.49 14.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.817 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.58 -37.69 79.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.844 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -57.44 -57.62 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 110.911 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -78.43 -25.54 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.73 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -62.37 -39.66 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.04 0.448 . . . . 0.0 109.893 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -66.64 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.381 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.12 -48.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -73.52 -20.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.5 t -79.46 -23.86 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.858 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 p -99.74 -63.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.782 0.325 . . . . 0.0 111.596 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -87.68 -6.77 76.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.613 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.45 -167.12 42.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.613 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.557 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 54.1 tp -58.66 -49.8 91.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 10.2 Cg_endo -51.63 -41.64 60.26 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.433 2.088 . . . . 0.0 112.908 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.83 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.7 0.286 . . . . 0.0 110.81 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.77 -50.87 69.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.609 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 71' ' ' ALA . 80.8 t -57.73 -48.01 84.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.769 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.6 -47.08 86.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.01 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 111.611 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.52 HD21 HD12 ' A' ' 98' ' ' LEU . 95.1 mt -74.46 -45.02 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.576 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 42.5 t -83.15 -37.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.543 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 34.3 t70 -77.71 -22.49 50.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.5 p -58.7 149.01 27.27 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.155 0.502 . . . . 0.0 111.716 -175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -71.63 -38.99 70.71 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.495 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.95 -58.08 9.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.331 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 30.5 m-85 -74.01 -23.11 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.868 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.99 -53.95 49.23 Favored 'General case' 0 CA--C 1.522 -0.104 0 O-C-N 123.49 0.494 . . . . 0.0 111.152 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -82.85 -22.41 34.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.821 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 87.2 t80 -64.93 -52.72 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 98' ' ' LEU . 83.3 m-85 -87.08 -40.93 14.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.995 0.426 . . . . 0.0 110.678 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.97 102.67 2.57 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.74 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.3 pt-20 -69.45 -4.47 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.037 0.446 . . . . 0.0 111.874 -176.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -89.4 -26.77 20.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 11.4 m -97.57 157.4 16.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.618 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.85 121.86 86.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.23 104.55 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.258 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -81.52 136.3 35.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.444 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.522 HD22 ' O ' ' A' ' 95' ' ' ARG . 55.6 mt -79.37 105.9 11.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.685 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -84.99 75.43 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.374 0.607 . . . . 0.0 109.823 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.7 -178.5 36.59 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.62 149.82 44.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.863 0.332 . . . . 0.0 110.456 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.99 117.15 18.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.388 0.613 . . . . 0.0 110.623 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -150.71 62.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.602 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -162.31 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.767 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -101.8 -45.62 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.55 ' O ' ' HB2' ' A' ' 154' ' ' HIS . 23.6 t-80 66.05 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.989 -166.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 153' ' ' HIS . 37.2 t-80 170.02 126.95 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.715 0.634 . . . . 0.0 110.085 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.652 173.187 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 N--CA 1.479 0.664 0 N-CA-C 111.017 -0.416 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -112.35 -10.42 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 109.707 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -86.19 97.86 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.255 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -112.25 -32.9 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.276 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -141.85 23.21 2.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.72 101.6 9.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.363 -170.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.5 62.28 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.279 0.561 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.77 -43.34 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.0 91.25 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.602 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -116.4 89.07 3.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 11' ' ' ARG . 23.6 mmt180 -136.17 178.32 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.336 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.43 -177.38 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.245 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -80.04 129.55 34.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -94.41 116.94 29.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 111.193 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.8 133.01 37.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.84 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.573 ' SD ' HG21 ' A' ' 56' ' ' VAL . 43.6 ttm -102.43 114.77 29.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.916 0.389 . . . . 0.0 110.34 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 7.7 ptmm? -134.08 148.96 70.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.018 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.25 117.32 4.02 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.916 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.24 -19.04 5.46 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.031 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HG ' ' HG2' ' A' ' 17' ' ' LYS . 86.6 mt -76.96 155.64 32.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.4 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 39.6 t -73.73 157.99 35.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.898 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.21 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.889 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' HG21 ' A' ' 28' ' ' VAL . 27.3 mm-40 -64.45 -45.36 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.974 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 29' ' ' ILE . 98.6 mttt -62.18 -47.06 86.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.513 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.62 -33.79 74.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.166 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.78 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.342 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 24' ' ' GLU . 83.8 t -65.12 -42.56 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.504 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.438 HG21 ' HG3' ' A' ' 53' ' ' GLU . 61.1 mt -62.73 -42.07 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.499 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -61.57 -42.27 98.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.383 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 35' ' ' GLN . . . -62.7 -39.82 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.731 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.38 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -61.84 -50.73 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.282 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.8 mtp85 -63.37 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.075 -178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 11.0 mm100 -80.56 -38.16 30.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.502 HD11 HG23 ' A' ' 67' ' ' VAL . 51.9 mt -89.18 -45.6 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.45 -21.88 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.465 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.5 mt-10 61.41 22.09 12.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -178.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -149.5 148.7 29.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.862 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -82.0 97.79 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.565 0.697 . . . . 0.0 110.705 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.9 pt -84.22 145.08 8.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.187 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.8 t -154.99 -153.4 0.45 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.915 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.13 93.41 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.629 0.728 . . . . 0.0 111.461 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 177.73 -31.58 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.23 -1.35 . . . . 0.0 107.845 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' HB2' HD13 ' A' ' 49' ' ' ILE . 19.5 m-85 -124.75 28.54 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.89 175.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -67.14 179.41 1.19 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.431 -172.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 70.54 -60.41 0.5 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.196 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -62.21 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 45' ' ' TYR . 68.5 mt -61.38 -53.97 41.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 p -66.28 -29.78 70.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.794 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.575 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 41.8 t80 -60.65 -57.16 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.25 -37.1 86.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.458 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.438 ' HG3' HG21 ' A' ' 29' ' ' ILE . 24.2 tt0 -55.14 -57.54 11.34 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.478 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 57' ' ' ARG . 19.5 p -61.43 -30.06 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 25.8 mt-30 -61.18 -54.22 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.573 HG21 ' SD ' ' A' ' 16' ' ' MET . 11.6 p -75.42 -32.91 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.196 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.45 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 67.0 ttt180 -61.64 -28.65 69.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.626 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -101.23 4.78 42.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 111.204 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.0 30.41 65.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.405 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.73 -27.91 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.677 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 47.3 pt -132.33 145.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.438 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -72.24 167.11 21.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.45 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.58 ' SD ' HG23 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -53.76 -39.96 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.682 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 79.9 tttt -47.79 -51.8 21.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.299 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.677 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.3 mm-40 -69.15 -33.66 73.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.25 -45.67 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG23 HD11 ' A' ' 36' ' ' ILE . 69.7 t -62.34 -47.17 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.624 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 84.1 mtp180 -55.87 -50.94 69.24 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -76.28 -23.21 54.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.913 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.9 mt -71.77 -47.59 52.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 174.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.439 ' HB2' HG12 ' A' ' 124' ' ' VAL . . . -82.0 -4.29 56.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.051 0.453 . . . . 0.0 111.159 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -106.69 4.31 27.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.271 0.558 . . . . 0.0 109.894 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.4 p -75.73 161.73 74.92 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.475 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 55.5 Cg_exo -53.8 -30.55 57.68 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.773 2.316 . . . . 0.0 112.377 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.73 -48.88 77.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -75.4 -23.48 57.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.184 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.254 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 14.3 mmmm -89.56 -64.76 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 79.3 mt-30 -71.37 162.62 29.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 81.3 m-85 69.03 -56.18 0.54 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.682 0.613 . . . . 0.0 111.828 -175.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -71.72 -41.19 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.6 tt0 -83.28 -52.67 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 31.6 Cg_endo -65.11 -10.35 25.31 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.102 1.868 . . . . 0.0 113.336 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.97 -174.62 3.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 tp -104.55 155.64 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.852 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -50.72 -45.23 58.45 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.869 0.468 . . . . 0.0 111.456 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -62.54 -29.59 70.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.643 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -81.19 -42.82 20.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.022 -178.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 92' ' ' LEU . . . -65.93 -28.64 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.631 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.92 -53.68 55.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.65 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.43 -29.21 68.63 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 89' ' ' ALA . 87.4 mt -63.26 -45.6 90.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.44 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.914 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.21 -59.84 3.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.438 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 54.3 mtm180 -65.35 -41.72 93.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.105 -173.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.694 ' HA ' HD23 ' A' ' 145' ' ' LEU . 3.1 t60 -80.59 -30.86 36.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.932 -171.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.74 -43.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.351 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.77 -16.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.225 -176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.22 15.5 81.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.129 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' A' ' 95' ' ' ARG . 41.7 ttp180 -146.88 156.38 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 100' ' ' ARG . . . -82.45 159.87 39.22 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.954 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.06 128.62 24.6 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.659 2.239 . . . . 0.0 111.648 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 p -102.11 -42.31 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.625 -172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.9 m -108.92 136.88 47.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.392 . . . . 0.0 111.224 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.51 -41.17 93.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.936 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -71.94 -22.64 61.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' ' HD1' ' A' ' 111' ' ' TYR . 5.8 tp10 -67.52 -46.37 73.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.13 -48.73 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.433 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.521 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' ' 114' ' ' ILE . 2.5 ttmp? -62.4 -58.77 6.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.287 0.565 . . . . 0.0 110.028 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.532 ' HA ' HD13 ' A' ' 114' ' ' ILE . 82.4 m-85 -68.49 -22.14 64.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.206 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.89 -42.25 90.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.174 0.511 . . . . 0.0 109.757 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -67.17 -36.99 82.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 111' ' ' TYR . 79.1 mt -62.25 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.113 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 120' ' ' LEU . 8.5 p -67.92 -21.9 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.791 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -80.06 -46.36 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.329 . . . . 0.0 111.231 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.9 p -85.96 -49.1 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.853 0.358 . . . . 0.0 111.813 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -35.36 22.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.951 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.96 178.93 19.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.197 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 55.4 tp -60.15 -51.78 77.94 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 19.4 Cg_endo -60.47 -27.74 85.41 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.016 1.811 . . . . 0.0 112.526 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.33 -42.78 71.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.703 0.287 . . . . 0.0 110.459 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 tp -56.14 -54.64 42.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.571 177.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 71' ' ' ALA . 97.2 t -60.27 -45.01 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.46 -47.04 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.66 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.92 74.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.622 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.92 -45.99 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.449 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 t -84.21 -22.82 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.137 0.494 . . . . 0.0 111.259 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.78 -21.52 62.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -52.27 122.1 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.274 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.62 -40.7 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.912 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -65.0 -47.56 77.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.393 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.86 80.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.361 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.16 -26.31 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.406 ' HD2' ' HD1' ' A' ' 137' ' ' PHE . 87.4 t80 -57.76 -52.14 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.152 -175.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.672 ' HD2' ' HB ' ' A' ' 141' ' ' THR . 31.6 p90 -130.96 5.56 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.584 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.67 152.54 27.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.786 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 10.7 pt-20 -90.44 5.2 48.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.872 0.367 . . . . 0.0 110.598 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.51 -7.07 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.783 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.672 ' HB ' ' HD2' ' A' ' 137' ' ' PHE . 28.8 m -96.67 146.0 25.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.419 0.152 . . . . 0.0 110.911 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.58 HG23 ' SD ' ' A' ' 63' ' ' MET . 61.5 t -73.81 123.8 89.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.499 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.81 122.35 10.38 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.611 2.207 . . . . 0.0 111.726 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -120.92 143.16 49.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.125 0.488 . . . . 0.0 111.41 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 96' ' ' HIS . 88.9 mt -68.68 105.89 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -153.66 -77.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.313 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 63.26 -98.68 0.24 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -168.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 33.9 tp 71.85 156.57 0.17 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.645 0.736 . . . . 0.0 112.251 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.33 170.18 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.744 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -96.7 85.17 3.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.756 -174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -85.55 -179.53 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -61.22 108.17 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -107.62 89.62 3.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.397 0.618 . . . . 0.0 112.65 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -165.12 113.64 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.787 167.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 13.1 t60 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.59 -177.431 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.479 0.625 0 N-CA-C 110.675 -0.548 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -104.02 148.91 25.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -109.79 102.89 11.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.32 0.581 . . . . 0.0 111.039 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -91.23 -5.08 55.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.012 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -97.82 109.66 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.837 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.42 -56.24 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.72 138.06 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.599 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.39 -154.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 71.25 92.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.8 0.688 . . . . 0.0 111.061 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -100.44 105.71 17.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.711 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.31 85.85 6.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.28 0.562 . . . . 0.0 110.358 177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.532 ' HG2' ' HG3' ' A' ' 13' ' ' LYS . 8.5 tt0 -140.85 137.47 33.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.107 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.532 ' HG3' ' HG2' ' A' ' 12' ' ' GLN . 45.0 mtmt 66.77 152.13 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.634 0.774 . . . . 0.0 112.232 178.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 28' ' ' VAL . 39.0 m-85 -75.33 91.66 2.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -143.56 141.11 30.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.312 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.432 ' HE2' ' HG3' ' A' ' 25' ' ' LYS . 21.2 mmt -69.02 115.33 8.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -114.17 151.99 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.414 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.55 68.66 3.58 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.912 2.408 . . . . 0.0 112.402 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.53 36.47 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.749 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -89.08 136.73 32.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.603 -0.351 . . . . 0.0 110.215 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -73.14 163.04 28.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.94 76.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.97 -35.94 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.056 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -69.19 -43.95 73.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 179.011 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 38.5 ttmt -62.78 -39.98 95.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.224 177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.45 -40.1 93.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.227 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.8 83.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.448 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.49 HG11 ' HE3' ' A' ' 63' ' ' MET . 61.7 t -67.71 -45.14 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 HG21 ' HG3' ' A' ' 53' ' ' GLU . 54.4 mt -69.93 -39.77 77.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.778 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 4.7 ttmp? -59.17 -41.91 89.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.39 178.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.12 86.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.773 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.34 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' CB ' ' HG2' ' A' ' 39' ' ' ARG . 29.8 m-85 -54.62 -43.2 72.03 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.572 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 42.3 ttm180 -65.54 -39.71 92.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.402 -173.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -88.75 -13.93 38.35 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.644 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 HG21 ' A' ' 67' ' ' VAL . 66.3 mt -92.53 -58.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.724 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -125.1 26.81 6.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.48 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.572 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.7 pt-20 46.08 33.29 1.65 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.779 0.832 . . . . 0.0 111.845 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HG2' ' CB ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER 54.41 -97.92 0.07 Allowed 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.561 179.178 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 31.2 t70 34.49 -108.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.511 0.725 . . . . 0.0 111.988 -170.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG21 ' O ' ' A' ' 39' ' ' ARG . 38.3 pt 47.92 121.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.787 1.635 . . . . 0.0 114.534 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -81.33 162.22 23.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.487 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -78.89 8.05 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -176.531 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.24 -19.25 54.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.506 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.82 174.48 6.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -56.15 122.43 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.088 0.47 . . . . 0.0 111.844 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.15 -21.9 65.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.066 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.509 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 31.0 t -55.33 -28.87 56.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.332 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.69 -42.3 92.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 110.344 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 5.6 t -76.14 -24.15 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.812 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.23 -36.34 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.1 mt -61.13 -38.36 86.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.077 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 50' ' ' SER . 10.7 tt0 -56.0 -45.6 78.99 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.397 174.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 m -62.87 -38.57 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -67.48 -45.0 77.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.144 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.11 -22.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 0.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.67 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 28.8 mtp180 -68.59 -42.39 78.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.693 173.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.31 -34.72 76.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.126 0.488 . . . . 0.0 110.795 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.14 35.64 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.78 -54.22 17.18 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.611 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 42.0 pt -104.6 139.97 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.007 172.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 139' ' ' GLU . 63.1 m -91.71 -177.95 4.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.49 ' HE3' HG11 ' A' ' 28' ' ' VAL . 19.6 mmt -65.65 -21.17 66.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.302 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 15.3 tptt -59.17 -47.27 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.051 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.611 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 2.3 mp0 -71.38 -47.31 56.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.9 -54.58 44.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG21 HD13 ' A' ' 36' ' ' ILE . 70.6 t -60.38 -47.83 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 111.099 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.519 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 21.2 ttp180 -61.92 -39.3 91.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.745 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.4 -34.56 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.188 -0.32 . . . . 0.0 111.52 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.51 -36.81 76.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.425 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HG2' ' HA ' ' A' ' 121' ' ' PRO . 9.7 mtmp? -91.91 8.4 37.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.271 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.2 m -74.66 144.28 80.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.74 -36.58 62.49 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.33 2.687 . . . . 0.0 113.116 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.63 -52.15 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -65.24 -42.3 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.278 0.561 . . . . 0.0 109.941 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HA ' HD21 ' A' ' 120' ' ' LEU . 40.7 ttt180 -61.0 -47.57 85.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.206 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 85.2 tttt -72.74 -19.93 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.717 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -96.37 -49.1 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.12 -17.98 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' HB2' HD22 ' A' ' 120' ' ' LEU . 92.7 t80 -117.58 -54.5 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.074 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 6.3 tp10 -49.74 -53.8 38.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 88.1 Cg_endo -91.96 14.83 1.72 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.027 1.818 . . . . 0.0 113.117 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.18 161.22 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.498 HG13 ' HG3' ' A' ' 88' ' ' ARG . 13.9 pt -74.4 144.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.886 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -62.56 -23.52 67.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 p -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.741 0.305 . . . . 0.0 111.486 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.498 ' HG3' HG13 ' A' ' 85' ' ' ILE . 73.7 mtp180 -89.25 -42.37 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.446 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -62.15 -30.24 70.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.477 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 37.6 tp -55.95 -51.01 69.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -69.77 -33.26 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.513 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 89' ' ' ALA . 97.4 mt -60.1 -41.46 92.61 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.0 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.624 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.477 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 m-85 -59.07 -39.95 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -66.15 -35.81 81.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.724 0.297 . . . . 0.0 111.368 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.4 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 1.7 t-160 -87.08 -24.14 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.501 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.423 HD11 HG12 ' A' ' 124' ' ' VAL . 80.5 mt -100.33 -46.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.594 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.31 -18.97 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -174.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.02 78.36 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.614 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -149.78 178.06 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.424 0.29 . . . . 0.0 110.268 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.83 159.24 14.5 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.999 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB2' HG23 ' A' ' 108' ' ' VAL . 2.2 Cg_endo -79.34 98.22 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.844 2.363 . . . . 0.0 111.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -83.42 -22.74 32.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.454 ' O ' HG22 ' A' ' 108' ' ' VAL . 14.5 m -85.9 121.75 28.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.22 -33.67 72.58 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -58.87 -46.47 87.73 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.051 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.19 -36.15 83.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.92 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.466 HG23 ' HB2' ' A' ' 102' ' ' PRO . 69.2 t -61.42 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.302 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.71 -36.9 75.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.156 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 83.6 m-85 -79.7 -20.92 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.31 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.05 -41.93 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.4 m -67.95 -39.77 83.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.296 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.04 -42.38 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.06 -21.31 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.746 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -80.0 -48.54 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.572 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -84.09 -45.44 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -66.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.97 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.65 -170.46 23.06 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.14 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.572 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 54.4 tp -66.53 -51.54 40.87 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.694 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.2 Cg_exo -55.11 -41.08 82.2 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.809 1.673 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.78 98.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 64.8 tp -61.12 -49.42 77.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.591 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 71' ' ' ALA . 93.9 t -57.96 -49.73 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.95 -41.48 87.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.897 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.877 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.71 -43.24 99.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 111.392 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.411 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 31.7 t -76.81 -21.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -80.71 -39.36 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.855 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 65.4 p -56.42 132.67 51.82 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.59 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 14.1 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 16.0 mm-40 -56.25 -54.48 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -82.32 -22.95 35.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 110.635 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.719 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.66 -54.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.254 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.9 -43.74 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.625 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.561 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -58.86 -54.74 43.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -175.011 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.72 -22.62 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.949 0.404 . . . . 0.0 110.725 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.5 173.38 49.79 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.805 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 62' ' ' SER . 15.1 pt-20 -102.07 -25.11 13.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.855 0.36 . . . . 0.0 110.574 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -82.09 -32.51 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.457 HG22 ' HD2' ' A' ' 13' ' ' LYS . 19.8 m -82.67 137.05 34.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.994 -171.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.448 HG21 ' HG3' ' A' ' 63' ' ' MET . 6.5 t -80.68 131.42 60.89 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 171.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -65.72 87.58 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.737 2.291 . . . . 0.0 112.851 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -114.03 148.04 37.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.119 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 pp -102.07 1.53 36.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.697 0.284 . . . . 0.0 111.259 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 73.88 -41.49 0.49 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.748 0.819 . . . . 0.0 112.54 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -54.51 101.97 0.12 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.991 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.9 tp -93.1 -36.79 12.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.468 0.651 . . . . 0.0 110.12 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.38 147.74 52.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.037 -178.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -138.52 155.79 48.09 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -78.71 88.63 4.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.888 0.852 . . . . 0.0 110.583 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -98.48 156.14 16.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.066 -1.425 . . . . 0.0 108.635 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -63.29 120.83 12.32 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 70.3 t60 69.14 103.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.983 0.802 . . . . 0.0 109.94 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.444 -175.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 C--O 1.232 0.176 0 N-CA-C 110.691 -0.542 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -81.32 108.18 14.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.225 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p 51.38 -152.77 0.2 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.883 0.74 . . . . 0.0 111.351 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -129.81 161.32 31.02 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -68.65 129.85 41.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.8 t30 67.44 66.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.051 0.844 . . . . 0.0 110.258 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.12 -37.02 9.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.388 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.81 27.49 16.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.43 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.82 63.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.747 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HZ1' ' HB3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -107.62 164.95 11.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.605 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 2.7 mmp_? -122.06 -179.06 4.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.863 0.363 . . . . 0.0 111.676 -174.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 mp0 -83.68 -164.69 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 -177.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 61.9 mttm 73.07 26.03 2.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.227 0.611 . . . . 0.0 110.907 -174.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -74.68 88.13 2.2 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.439 170.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -112.81 134.63 54.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.01 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.543 ' HG2' HG22 ' A' ' 56' ' ' VAL . 51.6 tpp -73.76 98.4 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.152 0.501 . . . . 0.0 109.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -135.7 143.38 44.52 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.326 -178.074 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.6 116.83 3.53 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.559 2.173 . . . . 0.0 110.888 174.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.82 -19.59 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.82 145.01 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -75.64 170.69 15.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.84 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.675 0.274 . . . . 0.0 111.096 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.54 -23.48 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.0 111.282 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.71 -45.38 52.58 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' O ' HG12 ' A' ' 29' ' ' ILE . 95.6 mttt -62.85 -36.98 85.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.86 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.18 -43.56 70.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.754 173.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.08 92.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.738 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.09 -45.38 90.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.518 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 25' ' ' LYS . 46.1 mm -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.874 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.73 -34.3 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.467 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.85 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.41 -41.82 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.738 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 35.4 ttm180 -70.71 -20.09 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.641 -176.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 14.6 mm-40 -93.39 -44.61 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.39 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.19 -57.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -84.19 -16.57 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.029 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 17.6 tt0 75.37 4.25 4.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.236 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -157.55 -179.1 7.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.958 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.609 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.2 p-10 -78.32 -17.12 56.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.496 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.609 HG12 ' O ' ' A' ' 40' ' ' ASP . 6.3 pt 60.33 156.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.024 1.329 . . . . 0.0 112.807 -178.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -115.05 176.12 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.031 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.6 ttmm 65.43 -0.47 1.17 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.622 173.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.05 58.85 4.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.074 -170.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' HB2' HD13 ' A' ' 41' ' ' ILE . 39.1 m-85 -53.17 -31.08 40.89 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.581 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.765 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 14.4 m -59.47 97.74 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.091 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.849 ' HG3' ' H ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -101.9 -78.28 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 168.495 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.849 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 3.9 m -64.15 -27.98 69.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 170.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.765 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 60.8 mt -61.54 -39.67 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.881 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -36.34 70.95 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.726 0.298 . . . . 0.0 110.499 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 84.1 t80 -60.89 -50.2 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.827 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 48' ' ' SER . 64.0 mt -59.34 -42.97 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.376 176.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -52.61 -48.42 66.33 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.983 177.293 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -77.19 -29.9 54.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.82 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.6 mm100 -64.73 -49.56 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 110.591 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 16' ' ' MET . 8.4 p -70.2 -29.74 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 30.6 ttt180 -58.71 -39.9 82.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.646 177.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -82.7 -24.92 33.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.65 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.05 28.54 6.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.894 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.75 -45.39 58.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 pt -115.4 165.3 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.3 p -84.42 163.7 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.097 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.458 ' HE2' HG21 ' A' ' 142' ' ' VAL . 7.8 tpt -66.84 -33.35 75.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.6 ' HE3' ' HA ' ' A' ' 129' ' ' ASP . 72.0 tttt -55.34 -54.27 45.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.687 175.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 31.3 mm-40 -64.53 -37.62 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.754 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE2' HD13 ' A' ' 70' ' ' LEU . 38.2 t80 -56.93 -47.78 79.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.788 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 63' ' ' MET . 83.6 t -59.32 -42.83 88.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 70.8 mtp180 -59.04 -38.76 80.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 27.7 mmt180 -71.02 -42.48 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.687 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.445 HD13 ' CE2' ' A' ' 66' ' ' PHE . 81.6 mt -63.64 -45.07 91.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.03 -177.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' CB ' HG11 ' A' ' 124' ' ' VAL . . . -73.33 -24.49 60.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -84.24 -10.12 57.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 110.683 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.8 m -61.89 139.84 95.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.629 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -49.83 -33.42 32.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.89 3.06 . . . . 0.0 113.87 -174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.05 -51.61 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.647 0.261 . . . . 0.0 110.722 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -71.4 -31.55 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.569 . . . . 0.0 109.626 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -63.6 -30.9 71.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.421 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.49 -43.39 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.715 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.83 166.19 19.93 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.642 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 98.7 m-85 67.78 -64.93 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.058 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -68.47 -26.73 65.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.522 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.9 tm-20 -98.01 -57.4 0.17 Allowed Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.698 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 7.6 Cg_exo -74.53 -21.94 16.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.378 2.052 . . . . 0.0 113.931 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.642 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 98.8 m-85 -112.35 -179.48 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.988 0.423 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 tt -96.31 152.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.671 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -47.09 -57.47 5.04 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.509 0.723 . . . . 0.0 112.512 -172.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -59.14 -35.83 74.18 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 28.5 mmm180 -75.75 -41.27 53.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.19 94.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.957 0.408 . . . . 0.0 110.044 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 123' ' ' LEU . 40.4 tp -56.38 -51.58 67.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.761 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -65.21 -41.91 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.282 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 90.9 mt -67.8 -32.3 72.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.85 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.837 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -57.58 -41.65 81.53 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.81 -33.39 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.548 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.8 -22.27 34.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.479 HD11 HG12 ' A' ' 124' ' ' VAL . 83.8 mt -100.92 -57.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.027 0.441 . . . . 0.0 111.516 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.418 HD13 HD21 ' A' ' 127' ' ' LEU . 49.0 mt -100.38 -33.89 10.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 -176.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.48 -8.54 67.98 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -87.93 -55.48 3.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.015 0.436 . . . . 0.0 110.908 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.46 167.86 32.62 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.65 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.489 ' HB2' HG22 ' A' ' 108' ' ' VAL . 37.2 Cg_endo -67.07 119.36 6.38 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.437 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -96.25 -51.94 4.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.56 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 15.3 m -94.5 148.91 21.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.495 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 32.0 tpt180 -69.37 -40.68 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.594 0.235 . . . . 0.0 111.041 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.6 pm0 -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.147 0.499 . . . . 0.0 110.012 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 34.5 tt0 -61.54 -45.58 93.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 104' ' ' SER . 60.7 t -56.39 -48.48 79.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.024 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 105' ' ' ARG . 27.6 mm-40 -56.2 -45.77 79.7 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.254 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 114' ' ' ILE . 60.4 tttm -55.72 -53.83 51.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.202 -178.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 107' ' ' GLU . 93.8 m-85 -79.34 -23.2 43.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.269 -175.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -64.34 -42.09 96.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 t -63.81 -37.88 89.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 111' ' ' TYR . 84.5 mt -62.35 -50.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.089 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.488 ' HB ' HD22 ' A' ' 123' ' ' LEU . 14.3 p -73.06 -26.71 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.8 m -77.17 -29.64 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.219 -0.301 . . . . 0.0 111.611 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 p -97.68 -56.51 2.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.762 0.315 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.89 -17.84 69.15 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.552 -176.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.11 -172.44 38.32 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.537 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 53.4 tp -63.53 -50.13 74.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -55.37 -35.53 91.91 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.159 1.906 . . . . 0.0 113.053 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.62 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.533 0.206 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.494 HD23 HD13 ' A' ' 90' ' ' LEU . 45.9 tp -58.06 -52.94 63.46 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.502 HG11 ' CB ' ' A' ' 71' ' ' ALA . 88.3 t -59.36 -47.75 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.051 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.35 -40.08 95.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 130' ' ' SER . . . -60.27 -35.16 74.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.143 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.418 HD21 HD13 ' A' ' 98' ' ' LEU . 95.1 mt -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.661 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.432 HG22 HG21 ' A' ' 97' ' ' ILE . 40.0 t -76.67 -35.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.6 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 38.4 t70 -85.39 -13.5 49.2 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.179 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 126' ' ' ALA . 1.1 t -62.59 120.84 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -66.52 -28.62 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -167.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.95 -37.9 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.824 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.512 ' HD2' ' HB3' ' A' ' 130' ' ' SER . 30.9 m-85 -71.3 -43.21 67.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.202 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.2 -35.97 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -73.37 -55.16 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.735 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -81.58 -33.41 31.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.0 131.66 5.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.419 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.88 -11.79 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.522 0.677 . . . . 0.0 110.097 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.75 -21.14 12.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 4.1 m -97.14 148.9 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.685 -171.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.458 HG21 ' HE2' ' A' ' 63' ' ' MET . 60.0 t -65.56 132.64 95.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 167.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -24.92 105.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.805 3.67 . . . . 0.0 114.465 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -83.73 79.0 9.61 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.434 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.8 tp -82.77 106.67 14.8 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.284 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 146' ' ' ARG . 9.9 ttp180 -139.75 92.56 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.15 110.32 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.072 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -84.14 108.4 17.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.47 -52.53 61.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.87 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -143.49 157.85 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -62.49 -36.09 81.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.157 0.503 . . . . 0.0 109.688 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -103.14 83.3 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.195 172.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -132.93 103.79 6.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.62 37.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.479 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.092 179.324 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.481 0.766 0 N-CA-C 110.824 -0.491 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -63.98 -76.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.111 0.481 . . . . 0.0 110.332 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -148.94 82.07 1.44 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.417 ' HH ' ' HB1' ' A' ' 8' ' ' ALA . 32.1 t80 -169.03 129.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.457 -170.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -90.06 137.96 31.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.31 98.35 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 111.284 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.18 99.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.559 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' HB1' ' HH ' ' A' ' 4' ' ' TYR . . . -151.07 11.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.34 77.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.23 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -120.88 131.67 54.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.631 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 57.4 95.06 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.022 0.827 . . . . 0.0 111.49 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -65.6 150.8 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.323 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.624 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 113.39 25.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 -176.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' HB3' HG13 ' A' ' 28' ' ' VAL . 99.1 m-85 -85.92 109.15 18.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.435 -173.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -119.87 116.11 25.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' A' ' 16' ' ' MET . 41.1 ttm -81.2 86.26 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.522 0.677 . . . . 0.0 110.107 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -88.38 154.1 51.21 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.168 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.38 93.46 0.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.47 2.113 . . . . 0.0 111.015 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.5 33.87 0.12 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.03 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 16' ' ' MET . 66.1 mt -118.15 140.44 49.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.0 m -73.56 170.04 16.01 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.76 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.634 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.22 -42.22 85.8 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.131 0.491 . . . . 0.0 110.764 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.1 mm-40 -65.41 -43.79 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.299 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.6 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.8 mttp -62.02 -45.32 94.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HA ' HD12 ' A' ' 29' ' ' ILE . 91.4 m-20 -53.13 -42.3 65.9 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.241 0.338 . . . . 0.0 111.298 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.46 99.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.894 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 14' ' ' TYR . 45.7 t -67.23 -39.44 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.867 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.6 HG13 ' O ' ' A' ' 25' ' ' LYS . 68.7 mt -61.79 -42.4 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.26 0.553 . . . . 0.0 110.476 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -64.45 -32.8 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.508 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . -69.63 -30.88 68.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.905 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -46.5 83.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -63.2 -33.24 75.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.284 0.564 . . . . 0.0 110.302 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 7.9 tpm_? -63.33 -33.28 75.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.7 tp60 -105.3 -44.4 4.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mm -71.8 -35.68 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.597 -174.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' HE2' HD22 ' A' ' 70' ' ' LEU . 63.6 m-85 -108.03 -29.14 9.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.954 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 9.2 tp10 62.29 29.61 17.37 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 40' ' ' ASP . 21.8 mmm180 65.86 -157.91 0.27 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.207 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER 72.43 9.16 5.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.21 0.529 . . . . 0.0 111.162 -176.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.8 pt -80.43 151.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.284 171.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.746 HG21 ' HG3' ' A' ' 43' ' ' LYS . 14.3 t -158.69 -168.5 2.43 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.247 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.746 ' HG3' HG21 ' A' ' 42' ' ' THR . 95.6 mttt 62.05 36.56 15.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 111.093 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 66.92 2.34 2.64 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.058 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.483 ' HB3' HD13 ' A' ' 49' ' ' ILE . 6.5 m-85 72.81 -46.97 0.66 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.775 0.83 . . . . 0.0 110.955 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 63.7 m 81.57 101.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 166.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 54.17 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 163.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.0 m -52.54 -40.48 62.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.184 -172.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 45' ' ' TYR . 36.0 mt -65.79 -34.74 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.976 0.417 . . . . 0.0 110.824 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -77.3 -34.09 55.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.898 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -61.79 -45.0 95.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.845 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.2 mt -62.26 -38.93 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.627 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.53 -50.35 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.177 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.551 ' HA ' ' CG ' ' A' ' 57' ' ' ARG . 13.1 t -65.03 -38.38 90.7 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.66 -42.88 99.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 111.512 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.14 -25.72 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.153 -176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.551 ' CG ' ' HA ' ' A' ' 54' ' ' SER . 6.2 ppt_? -74.79 -21.93 59.04 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.004 -0.435 . . . . 0.0 111.268 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.2 -14.86 25.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.159 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.31 17.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.861 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.08 -40.82 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -114.39 153.34 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.279 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.1 p -83.35 173.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.467 ' HE2' HG11 ' A' ' 28' ' ' VAL . 4.0 mmt -63.84 -35.29 80.14 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.516 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -68.67 -28.86 67.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.166 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.751 ' HB3' HH21 ' A' ' 69' ' ' ARG . 45.4 mt-10 -77.54 -37.13 51.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.939 0.4 . . . . 0.0 110.13 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 18.7 t80 -64.02 -50.06 69.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.67 -47.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 176.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -57.79 -44.11 86.05 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.503 0.668 . . . . 0.0 110.484 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.751 HH21 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -69.38 -38.8 78.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 83.2 mt -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HB2' HG12 ' A' ' 124' ' ' VAL . . . -68.97 -27.47 65.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.043 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HZ2' ' CG ' ' A' ' 125' ' ' ASP . 47.1 mttp -81.79 6.72 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.0 p -77.99 149.37 76.71 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-O 120.847 0.356 . . . . 0.0 110.743 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.55 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 17.1 Cg_endo -59.19 -30.3 92.71 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.511 2.141 . . . . 0.0 111.295 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 1.9 mm? -63.8 -51.93 62.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.113 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -63.49 -46.98 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.28 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 77' ' ' ARG . 14.0 ptt180 -70.55 -25.37 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.224 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.0 tmtt? -70.98 -43.61 67.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.007 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 76.3 mm-40 -75.08 -14.81 60.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.48 -46.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.488 ' HB2' HD21 ' A' ' 120' ' ' LEU . 53.6 t80 -78.71 -14.55 59.23 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.48 -172.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.7 tt0 -93.15 -59.32 0.21 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 84.1 Cg_endo -80.53 3.01 8.07 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.999 1.799 . . . . 0.0 112.98 -174.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -131.34 156.11 46.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.532 HG13 ' H ' ' A' ' 88' ' ' ARG . 33.0 pt -75.23 159.32 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -55.74 -31.03 62.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -69.88 -41.46 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.03 0.443 . . . . 0.0 110.624 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' H ' HG13 ' A' ' 85' ' ' ILE . 11.1 tpp180 -73.74 -38.96 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.05 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.692 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 108' ' ' VAL . 22.4 tp -64.76 -46.27 82.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.906 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.03 -50.46 66.62 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.807 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.4 mt -63.2 -38.58 91.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.99 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.35 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 24.2 m-85 -59.96 -40.75 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.498 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 28.1 ttm-85 -83.25 -14.94 52.14 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.633 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -96.83 -39.52 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.187 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.53 -34.82 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 0.0 110.775 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.86 -40.49 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 88.22 -22.91 16.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.968 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 100' ' ' ARG . 19.4 ttt180 -66.1 -44.18 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.857 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.63 157.27 30.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.034 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.448 ' HG3' ' HD2' ' A' ' 94' ' ' PHE . 51.5 Cg_exo -55.16 125.05 17.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.385 2.724 . . . . 0.0 112.398 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -123.68 -26.24 4.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.918 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.0 m -129.28 148.21 51.19 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -60.3 -56.48 20.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.991 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.5 -38.49 71.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.427 ' O ' ' HD2' ' A' ' 111' ' ' TYR . 24.5 tt0 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.83 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.508 HG12 HD21 ' A' ' 90' ' ' LEU . 93.3 t -56.9 -47.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.917 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.25 -36.63 82.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.385 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -60.6 -52.7 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 107' ' ' GLU . 96.7 m-85 -76.67 -22.57 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.24 -176.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.19 -37.88 88.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.895 0.379 . . . . 0.0 110.017 174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -42.31 94.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.887 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.64 -47.3 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.59 -20.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.743 0.306 . . . . 0.0 111.143 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 m -85.24 -53.14 5.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 111.194 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.7 t -74.8 -46.76 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.01 -175.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.57 -57.13 1.78 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.834 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.62 179.88 17.05 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.911 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.572 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 44.4 tp -64.4 -46.93 78.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.22 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.8 Cg_endo -54.68 -36.16 89.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.172 1.915 . . . . 0.0 112.264 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.4 -34.69 65.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.8 -42.91 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.79 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.487 HG12 ' HB2' ' A' ' 71' ' ' ALA . 72.8 t -58.87 -46.31 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.53 176.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.467 ' CG ' ' HZ2' ' A' ' 72' ' ' LYS . 27.8 m-20 -56.17 -47.61 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.89 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.962 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.27 -48.64 16.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.71 -20.54 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.984 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.38 -4.62 49.14 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.0 t -80.7 111.98 17.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.49 -26.66 68.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -55.91 -46.96 78.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.574 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.46 -30.74 37.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.55 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.05 95.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.73 -30.83 63.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.398 0.618 . . . . 0.0 110.255 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -64.08 -50.49 68.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.014 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.27 -41.47 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.824 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.27 172.77 17.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.877 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.22 -19.35 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.717 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -35.54 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.25 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 5.3 m -81.88 141.17 33.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.28 127.99 88.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -31.33 104.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 124.291 3.328 . . . . 0.0 113.373 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.24 78.69 8.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.8 -173.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.56 -51.82 18.23 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.474 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -87.25 92.88 9.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.486 0.66 . . . . 0.0 111.799 -175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -116.01 -80.97 0.87 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 171.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.9 mt 68.59 149.12 0.07 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.687 0.756 . . . . 0.0 112.906 172.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.0 63.32 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.664 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.25 42.46 0.58 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.222 0.534 . . . . 0.0 111.342 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -150.56 -62.07 0.2 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.255 176.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -158.5 136.58 10.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.714 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' ' 155' ' ' HIS . 71.2 t60 -70.44 115.84 10.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -72.7 -6.59 45.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.019 -175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . 0.47 ' HA ' ' NE2' ' A' ' 153' ' ' HIS . 96.6 m-70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.099 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.479 0.627 0 N-CA-C 110.687 -0.544 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -86.33 -67.08 0.84 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.043 0.449 . . . . 0.0 109.847 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -140.44 -35.61 0.5 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.542 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.5 t80 63.69 83.84 0.16 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -108.47 37.2 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.001 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.13 100.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.303 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.67 137.76 20.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.93 11.1 9.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.479 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.69 24.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 12' ' ' GLN . 31.3 pttt -62.63 -55.48 26.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.356 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 68.52 -9.09 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 10' ' ' LYS . 52.8 mt-30 67.12 -174.06 0.19 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.268 0.627 . . . . 0.0 111.321 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -82.19 149.53 27.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.107 0.48 . . . . 0.0 111.558 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -82.61 136.46 34.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.488 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.7 26.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mmt -89.37 110.55 21.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.224 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -122.4 134.89 25.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.728 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.32 117.77 4.64 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.091 1.86 . . . . 0.0 110.366 171.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.18 -10.48 9.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.4 142.7 30.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -78.27 172.18 13.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.69 72.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.236 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.72 -47.14 76.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 mp0 -59.7 -47.51 85.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.517 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 29' ' ' ILE . 95.1 mttt -63.11 -40.74 98.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.02 -43.59 82.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.651 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.87 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.855 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 24' ' ' GLU . 97.2 t -65.18 -41.05 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 25' ' ' LYS . 80.5 mt -63.21 -47.27 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.77 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -62.45 -38.88 91.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.617 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.75 99.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.409 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.41 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' HH ' HD21 ' A' ' 70' ' ' LEU . 62.7 m-85 -59.28 -41.47 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.961 0.41 . . . . 0.0 111.209 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -74.7 -19.44 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.785 -177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -100.06 -18.35 17.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -89.33 -51.38 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -93.04 -34.24 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 58.46 27.2 15.19 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.607 ' HG2' ' N ' ' A' ' 40' ' ' ASP . 22.7 ttt180 -163.83 165.13 23.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.607 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 16.1 t0 -63.55 129.27 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -84.17 21.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.221 0.534 . . . . 0.0 110.984 -176.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 41' ' ' ILE . 34.2 m 81.38 104.0 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.867 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -66.48 52.86 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.26 -13.28 6.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.622 171.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.58 ' CE2' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -66.83 167.37 11.55 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.655 177.392 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -173.64 -81.98 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 pm0 -65.53 -29.79 70.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -167.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 m -67.89 -32.19 72.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.581 . . . . 0.0 110.284 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.54 HD13 ' CG ' ' A' ' 45' ' ' TYR . 16.8 mt -69.06 -50.32 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.966 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 m -56.79 -36.86 70.35 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.079 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.61 -57.69 10.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.66 -36.9 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -54.49 -53.75 50.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -63.21 -34.34 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.53 -50.04 68.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.079 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -74.82 -29.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 0.0 110.756 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HD3' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.32 -38.12 82.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 178.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -91.04 -0.61 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.446 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.5 28.83 62.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.323 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.06 -29.06 57.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.8 pt -131.78 147.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.554 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.563 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 19.9 m -72.67 164.99 25.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 176.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.506 ' HE2' HG23 ' A' ' 142' ' ' VAL . 95.5 mmm -64.69 -36.09 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.86 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HG3' ' OE1' ' A' ' 65' ' ' GLU . 13.8 ptmm? -62.86 -32.29 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 5.1 mm-40 -75.62 -41.19 54.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.61 -44.74 93.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.501 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 63' ' ' MET . 94.1 t -62.81 -43.59 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' HB2' HG12 ' A' ' 128' ' ' VAL . 45.1 ttp180 -62.67 -35.43 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mmp_? -63.97 -52.21 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.028 175.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD21 ' HH ' ' A' ' 33' ' ' TYR . 81.9 mt -59.38 -47.1 86.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HB2' HG11 ' A' ' 124' ' ' VAL . . . -68.93 -21.94 64.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.391 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.656 ' HE3' ' HB3' ' A' ' 125' ' ' ASP . 63.3 mttt -93.55 -4.13 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.586 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.6 m -74.25 142.24 78.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.18 -27.87 18.44 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.457 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.506 HD22 ' HB ' ' A' ' 41' ' ' ILE . 32.7 tp -64.58 -48.81 73.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.76 0.314 . . . . 0.0 111.127 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.16 -37.18 66.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 109.909 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.83 -24.51 66.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.222 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -70.74 -25.51 62.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.064 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -102.1 169.3 8.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.977 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 65.5 m-85 69.39 -49.13 0.61 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -79.89 -36.71 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' H ' ' HD2' ' A' ' 83' ' ' PRO . 34.8 tt0 -99.31 -54.41 0.18 Allowed Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.497 ' HD2' ' H ' ' A' ' 82' ' ' GLU . 18.3 Cg_endo -61.8 -36.02 75.84 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.793 1.662 . . . . 0.0 111.923 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 85.3 m-85 -108.53 171.66 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.466 HG13 ' H ' ' A' ' 88' ' ' ARG . 37.6 pt -89.6 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -62.91 -21.45 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.591 0.234 . . . . 0.0 111.534 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -68.03 -30.48 69.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.146 0.498 . . . . 0.0 109.889 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.466 ' H ' HG13 ' A' ' 85' ' ' ILE . 10.2 tpt180 -86.81 -36.83 18.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.795 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.38 -33.8 71.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.853 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -59.8 -47.58 85.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.074 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.43 -48.77 79.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.57 -44.37 93.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.185 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.86 76.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.724 0.297 . . . . 0.0 111.122 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.503 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 9.9 m-85 -64.01 -34.91 79.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.878 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.55 -29.57 27.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.177 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.05 -44.41 11.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.148 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.0 mt -83.16 -54.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.978 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -80.66 -19.26 45.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.827 -176.378 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 15.02 81.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.647 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -132.22 -78.72 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.957 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.503 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 136.49 172.03 12.45 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.43 118.24 5.29 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.536 2.157 . . . . 0.0 111.761 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.0 p -92.21 -54.33 3.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.027 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 108' ' ' VAL . 48.9 m -100.97 151.75 21.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 -176.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -63.52 -36.39 83.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -59.24 -44.48 92.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.591 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.85 -40.75 94.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.35 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 104' ' ' SER . 76.2 t -59.78 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.804 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.94 -29.24 69.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.766 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.05 -58.35 8.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.461 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.462 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 79.4 m-85 -77.8 -24.74 48.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.623 -175.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.79 -36.34 84.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.185 0.517 . . . . 0.0 109.728 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -65.41 -38.87 91.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.756 176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.427 HD11 ' HA ' ' A' ' 111' ' ' TYR . 63.5 mt -61.3 -50.02 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.103 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 120' ' ' LEU . 11.4 p -68.19 -22.75 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.025 0.441 . . . . 0.0 111.109 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.3 t -79.29 -24.98 42.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.139 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.4 m -93.05 -60.63 1.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.576 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.06 6.52 59.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.643 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 115' ' ' VAL . . . 81.15 -166.36 48.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.465 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.589 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 52.3 tp -61.77 -49.23 87.08 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 11.3 Cg_endo -54.66 -35.19 86.33 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.382 2.055 . . . . 0.0 113.315 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.433 ' HA ' ' OD2' ' A' ' 125' ' ' ASP . . . -63.99 -35.31 80.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.984 0.421 . . . . 0.0 111.124 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 69.7 tp -67.25 -38.41 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.451 0.643 . . . . 0.0 109.959 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 71' ' ' ALA . 72.0 t -62.87 -52.11 63.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.2 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.656 ' HB3' ' HE3' ' A' ' 72' ' ' LYS . 2.5 p30 -69.32 -25.12 64.06 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.861 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.44 97.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.405 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 133' ' ' TYR . 96.7 mt -76.19 -48.1 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.383 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.463 HG12 ' HB2' ' A' ' 68' ' ' ARG . 89.5 t -72.4 -29.33 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -78.11 -25.58 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.982 -0.449 . . . . 0.0 111.516 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 t -60.27 125.91 25.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.489 . . . . 0.0 110.681 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.508 HE21 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -69.49 -21.25 63.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -177.319 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.12 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.316 0.579 . . . . 0.0 110.0 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 11.4 m-85 -79.48 -25.39 41.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.459 -177.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.86 88.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.69 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.25 -33.36 59.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.113 0.483 . . . . 0.0 110.646 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 55.3 t80 -61.54 -43.38 98.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.478 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' A' ' 98' ' ' LEU . 68.7 m-85 -94.27 -41.25 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.282 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.24 131.39 7.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 33.0 mt-10 -67.28 -23.73 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -86.58 -25.89 24.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.297 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.1 m -91.16 144.18 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -171.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.506 HG23 ' HE2' ' A' ' 63' ' ' MET . 45.5 t -79.0 122.17 84.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.402 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -56.44 116.41 3.17 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.653 2.235 . . . . 0.0 112.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.464 ' HD2' ' O ' ' A' ' 142' ' ' VAL . 53.2 p90 -133.13 156.4 47.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 110.37 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.708 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -87.39 108.99 19.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.126 0.489 . . . . 0.0 110.682 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.26 -146.94 5.91 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.6 mt 58.44 33.02 22.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.087 0.47 . . . . 0.0 110.826 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.82 107.63 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.56 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -82.51 -168.89 2.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -65.84 107.74 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -121.32 131.56 54.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.047 0.451 . . . . 0.0 111.053 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -72.96 -53.56 10.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.331 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -168.61 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 114.322 -1.308 . . . . 0.0 108.506 166.194 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HD11 ' A' ' 20' ' ' LEU . . . -148.44 135.33 20.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.4 mmt -80.02 92.5 5.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 109.778 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -135.24 154.54 78.84 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.616 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 110.55 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.851 2.367 . . . . 0.0 112.565 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.87 41.53 0.34 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.356 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 15' ' ' ALA . 90.9 mt -120.39 128.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.544 0.211 . . . . 0.0 110.587 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.8 m -81.49 172.11 13.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.001 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.86 79.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.315 . . . . 0.0 111.679 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.75 -37.18 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.872 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.4 mm-40 -67.03 -49.15 66.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.018 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.14 -35.63 79.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.96 -45.34 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.527 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.05 88.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.062 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 85.4 t -59.14 -49.29 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.85 -47.94 88.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.04 -36.49 83.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.735 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.25 87.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.588 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 74.2 m-85 -62.53 -41.71 99.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.743 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 24.9 mmm-85 -66.46 -18.97 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.847 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 22.1 tp60 -94.04 -44.92 7.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.839 0.352 . . . . 0.0 111.075 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.485 HD11 HG13 ' A' ' 67' ' ' VAL . 46.3 mt -77.28 -40.66 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -176.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -96.13 -2.03 47.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.6 pt-20 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.682 1.193 . . . . 0.0 113.262 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 p -161.23 -156.36 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.996 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 67.73 -81.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 110.868 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 m -64.83 -35.41 81.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.038 0.447 . . . . 0.0 109.835 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 65.0 mt -64.29 -41.91 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.39 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 4.8 m -66.78 -35.92 81.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.386 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.45 -43.29 70.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.771 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 48' ' ' SER . 96.4 mt -64.9 -34.26 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.231 176.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' SER . 34.1 tt0 -55.74 -55.7 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.331 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -64.79 -37.25 86.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.368 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.9 -47.08 86.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 111.458 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.48 -25.28 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.898 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.673 0.273 . . . . 0.0 110.791 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.97 -22.29 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.29 24.24 57.35 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.06 -44.59 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.262 0.553 . . . . 0.0 109.973 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -109.33 152.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -73.23 150.62 41.9 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.2 tpt -63.83 -18.52 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.422 0.63 . . . . 0.0 110.239 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -70.12 -43.83 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.823 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 31.3 tt0 -69.77 -36.31 75.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.018 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 89.4 t80 -53.98 -48.12 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.991 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.485 HG13 HD11 ' A' ' 36' ' ' ILE . 53.5 t -65.95 -47.8 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.118 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.769 ' HG2' ' HA ' ' A' ' 65' ' ' GLU . 21.7 ptt180 -64.94 -29.96 70.93 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.964 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HE ' ' HG2' ' A' ' 65' ' ' GLU . 61.6 mtt180 -64.6 -48.39 75.11 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.5 mt -61.69 -45.77 92.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.392 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.67 63.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.935 0.398 . . . . 0.0 111.525 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -97.87 3.86 49.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.096 0.474 . . . . 0.0 110.611 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.4 m -75.63 149.23 83.42 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -55.01 -26.66 50.69 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.234 2.622 . . . . 0.0 112.705 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.39 -57.62 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 0.0 110.479 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.22 -36.91 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 109.742 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.571 ' HA ' HD23 ' A' ' 120' ' ' LEU . 58.8 ttt180 -61.9 -31.84 72.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.235 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.57 -52.26 4.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.245 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.94 -29.42 68.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.74 16.36 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -141.48 -35.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.527 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 10.3 tp10 -55.3 -52.57 70.38 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 19.5 Cg_endo -93.44 20.31 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.333 2.022 . . . . 0.0 111.903 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.75 -173.39 3.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.942 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 pt -127.73 179.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.933 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -57.41 -47.03 82.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.169 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.1 p -65.45 -32.66 74.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -79.04 -37.65 38.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.348 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 120' ' ' LEU . . . -63.57 -33.82 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 175.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.98 -51.72 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.74 -44.65 96.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.39 -43.27 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.78 67.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 10.5 m-85 -54.6 -45.08 73.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 95' ' ' ARG . 42.7 ttm180 -63.97 -32.09 73.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.72 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -86.54 -41.27 14.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.412 HD12 HD12 ' A' ' 127' ' ' LEU . 77.8 mt -84.69 -52.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.82 0.343 . . . . 0.0 111.877 -174.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 127' ' ' LEU . 77.8 mt -95.72 -24.86 16.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.887 0.375 . . . . 0.0 111.332 -174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.87 86.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.846 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 44.6 ttp180 -131.07 138.36 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.65 161.67 40.68 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.327 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.653 ' HB2' HG22 ' A' ' 108' ' ' VAL . 9.2 Cg_endo -54.12 115.35 2.3 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.617 2.211 . . . . 0.0 111.179 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -101.95 -44.51 5.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.407 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 108' ' ' VAL . 11.8 m -94.59 144.44 25.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.029 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -58.63 -44.82 90.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -57.02 -46.71 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.628 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 104' ' ' SER . 66.5 tt0 -57.04 -52.84 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.291 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' A' ' 102' ' ' PRO . 85.3 t -51.3 -59.99 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.047 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.84 -25.86 64.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -66.82 -55.9 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -77.56 -22.91 50.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 115' ' ' VAL . 81.2 t80 -62.38 -36.68 83.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.3 m -64.89 -36.7 85.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.482 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.94 -45.98 79.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 112' ' ' PHE . 8.0 p -72.87 -17.94 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 111.501 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 m -85.22 -39.45 17.77 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.218 -0.301 . . . . 0.0 111.193 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.0 p -89.06 -64.28 1.17 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.707 0.289 . . . . 0.0 111.643 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.83 -25.61 62.15 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.984 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.77 23.79 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.745 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 77' ' ' ARG . 46.1 tp -63.89 -47.96 79.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.718 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -53.53 -38.07 83.19 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.25 74.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.33 -39.4 94.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.744 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 120' ' ' LEU . 91.8 t -58.45 -52.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.87 -38.76 86.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.944 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.67 95.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.733 0.301 . . . . 0.0 111.457 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 98' ' ' LEU . 95.7 mt -77.45 -50.06 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.398 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' ARG . 92.8 t -66.28 -46.81 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.708 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.98 5.04 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 111.374 -174.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.6 t -57.35 119.04 5.77 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.924 0.393 . . . . 0.0 110.211 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -62.99 -28.05 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.692 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.44 -57.87 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.165 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 137' ' ' PHE . 1.6 m-85 -68.52 -22.27 64.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.384 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.49 -61.66 1.93 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.078 0.466 . . . . 0.0 111.624 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -68.2 -32.51 72.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -90.4 -21.86 21.74 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 133' ' ' TYR . 54.2 m-85 -100.64 -27.4 13.41 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.26 146.65 18.25 Favored Glycine 0 C--O 1.222 -0.65 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.837 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -85.27 -16.74 39.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -172.135 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.08 -35.57 21.75 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.7 m -62.73 128.86 37.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 143' ' ' PRO . 60.0 t -75.03 135.9 73.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 142' ' ' VAL . 72.8 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.385 2.056 . . . . 0.0 112.662 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' HB2' ' HB ' ' A' ' 142' ' ' VAL . 90.9 m-85 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -111.2 133.52 53.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.837 -173.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 28' ' ' VAL . 34.7 mtp -88.32 70.2 9.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.292 0.568 . . . . 0.0 109.734 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -102.47 148.72 35.88 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.422 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 135.13 67.52 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.948 2.432 . . . . 0.0 112.142 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.1 41.25 2.47 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.256 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -131.24 175.93 8.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.516 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 21.6 t -106.72 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.96 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.55 87.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.189 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -40.45 94.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 21' ' ' SER . 21.2 mm-40 -60.17 -47.06 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.467 . . . . 0.0 110.216 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' ILE . 96.5 mttt -67.59 -36.4 80.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -61.84 -38.5 88.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.041 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.85 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.221 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 16' ' ' MET . 79.0 t -61.17 -44.02 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.857 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 25' ' ' LYS . 48.0 mm -59.22 -46.83 91.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.81 -42.8 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.71 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.776 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.876 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -58.87 -41.12 86.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.324 . . . . 0.0 111.482 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.3 ttp180 -62.72 -34.05 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.649 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.59 -17.88 14.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.8 mm -80.93 -40.56 18.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.25 -29.76 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.538 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.493 0.663 . . . . 0.0 110.222 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' HD12 ' A' ' 49' ' ' ILE . 22.8 m-85 . . . . . 0 N--CA 1.461 0.078 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 32.9 p -156.38 19.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -65.05 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.04 0.448 . . . . 0.0 110.557 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 5.0 m -70.16 -20.14 63.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 57.5 mt -68.98 -49.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 46' ' ' SER . 49.3 m -71.75 -26.74 62.58 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 79.7 t80 -58.33 -52.32 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 48' ' ' SER . 90.3 mt -64.25 -33.25 75.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.012 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -59.24 -50.71 72.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.315 177.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 p -64.14 -28.36 69.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.7 0.286 . . . . 0.0 110.862 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.9 mm100 -64.45 -52.39 58.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 16' ' ' MET . 14.1 p -71.74 -33.4 48.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.901 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 57' ' ' ARG . 12.5 ttm180 -61.49 -45.92 92.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.558 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -75.34 -9.91 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 26.86 35.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.59 -41.61 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.156 0.503 . . . . 0.0 109.751 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.7 pt -123.96 148.72 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.725 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 p -87.4 163.41 16.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 67' ' ' VAL . 17.9 mmt -60.54 -31.44 70.54 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.27 -47.38 65.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.219 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -80.78 -31.33 35.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.371 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.03 -49.7 76.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.106 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 63' ' ' MET . 90.2 t -60.81 -46.84 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.449 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -55.97 -47.49 77.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.473 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.84 -38.59 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.742 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.51 -19.7 61.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.459 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.57 -0.3 32.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.4 p -71.07 144.61 90.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.48 -32.22 93.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.85 -48.27 79.75 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.962 0.41 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -63.54 -44.64 93.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.63 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 120' ' ' LEU . 71.5 ttt180 -58.47 -33.93 70.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.71 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -80.27 -56.37 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.47 -12.94 60.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.3 t80 -103.02 -17.83 15.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.591 0.234 . . . . 0.0 111.501 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD22 ' A' ' 120' ' ' LEU . 72.2 t80 -120.51 -37.17 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 42.9 tt0 -69.06 -52.47 15.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 71.8 Cg_endo -77.76 11.23 2.3 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.894 1.729 . . . . 0.0 112.752 -178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.12 160.1 31.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 88' ' ' ARG . 25.7 pt -84.42 153.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -52.7 -43.65 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.527 0.517 . . . . 0.0 111.777 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 13.4 p -66.67 -40.15 88.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.574 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.465 ' H ' HG13 ' A' ' 85' ' ' ILE . 22.3 ttm180 -77.72 -29.07 51.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 110.632 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.12 81.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 87' ' ' SER . 40.9 mt-10 -59.52 -45.39 91.88 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.773 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -64.65 -43.48 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.138 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.41 78.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -55.21 -48.67 73.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.257 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -80.87 -19.76 43.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.855 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -89.75 -38.99 13.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.703 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.512 HD12 HD12 ' A' ' 127' ' ' LEU . 73.1 mt -88.09 -54.35 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.481 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.13 -27.69 15.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.278 -176.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.65 67.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.187 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' A' ' 103' ' ' SER . 33.8 mtp85 -97.38 -171.69 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.046 0.45 . . . . 0.0 111.311 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.96 173.36 24.13 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HB3' HG22 ' A' ' 108' ' ' VAL . 70.1 Cg_exo -52.3 108.03 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.076 2.517 . . . . 0.0 112.585 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.478 ' HB2' HH21 ' A' ' 100' ' ' ARG . 29.7 t -78.45 -42.95 28.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.6 p -144.59 160.54 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -58.97 -33.58 70.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.663 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.86 -40.73 72.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.8 -46.62 89.82 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' SER . 93.9 t -55.93 -57.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.996 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.57 -27.59 68.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.974 -175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.76 -53.74 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.111 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.3 m-85 -79.82 -25.4 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.195 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.38 -40.04 92.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.095 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.7 m -65.59 -37.41 86.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.067 0.461 . . . . 0.0 110.259 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 111' ' ' TYR . 68.8 mt -64.18 -51.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.29 -27.4 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 111.117 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 m -81.41 -14.12 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.186 -0.321 . . . . 0.0 111.262 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -97.83 -45.22 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.13 -1.87 29.9 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.341 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.57 -171.27 49.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.25 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 38.2 tp -61.16 -48.84 90.77 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -53.96 -32.69 69.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.365 2.043 . . . . 0.0 112.999 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.57 59.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.868 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.28 -43.81 93.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.79 -43.83 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.898 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.38 -51.31 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.058 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.51 68.15 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.607 0.567 . . . . 0.0 112.399 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.512 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -85.1 -38.24 19.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.752 0.31 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.76 -24.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.08 -18.73 62.53 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.215 -0.303 . . . . 0.0 111.388 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.4 m -58.47 130.83 48.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.92 -29.61 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.521 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.27 -41.17 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.031 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.914 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 79.6 t80 -64.61 -50.09 68.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.901 177.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.72 85.16 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.99 -62.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.43 -41.98 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.668 0.27 . . . . 0.0 111.513 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.914 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 47.3 m-85 -86.86 -41.45 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.71 120.1 4.36 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.522 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.79 -14.65 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.52 0.676 . . . . 0.0 109.781 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 22.0 mt-10 -92.83 -2.83 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.088 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.8 m -94.76 135.87 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.529 -171.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 14' ' ' TYR . 50.0 t -91.78 140.14 24.94 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 168.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 142' ' ' VAL . 80.3 Cg_exo . . . . . 0 C--N 1.353 0.779 0 C-N-CA 125.081 3.854 . . . . 0.0 115.055 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.449 0.642 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.1 132.71 32.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -81.04 95.69 6.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.448 0.642 . . . . 0.0 110.035 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 61.1 mttm -98.1 144.48 28.12 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.65 107.02 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.636 2.224 . . . . 0.0 110.986 173.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -17.99 4.27 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.144 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.19 140.09 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -74.62 167.84 20.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HB1' ' NH2' ' A' ' 57' ' ' ARG . . . -56.91 -45.13 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.948 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.58 -38.98 86.39 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 28' ' ' VAL . 33.3 mm-40 -66.5 -41.78 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.817 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -38.78 90.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.37 -42.66 87.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.172 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.21 87.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 24' ' ' GLU . 47.6 t -66.12 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.572 HD13 ' HB2' ' A' ' 53' ' ' GLU . 64.2 mt -64.96 -44.77 96.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.19 0.519 . . . . 0.0 110.2 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -61.61 -42.74 99.31 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.979 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.96 90.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.636 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.96 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.87 -31.33 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.36 -42.8 9.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.349 . . . . 0.0 111.722 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mm -72.83 -43.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.681 0.277 . . . . 0.0 111.665 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -109.97 -34.03 6.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.242 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.813 0.816 . . . . 0.0 109.718 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.671 ' HB3' HD23 ' A' ' 75' ' ' LEU . 22.9 p90 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.27 0.557 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -59.97 151.3 26.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.81 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -66.67 -8.78 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.823 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.7 t -57.35 -27.45 62.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.181 175.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.0 -39.63 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.339 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 12.3 t -72.38 -31.26 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.546 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 35.8 t80 -66.4 -38.6 87.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.808 176.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.3 mt -61.22 -46.54 90.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.362 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB2' HD13 ' A' ' 29' ' ' ILE . 12.4 pt-20 -66.63 -32.9 74.52 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.664 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.5 p -71.85 -33.1 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.931 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 44.5 mt-30 -68.62 -48.92 62.85 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.834 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -64.35 -34.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' NH2' ' HB1' ' A' ' 22' ' ' ALA . 28.3 ttt180 -61.93 -48.72 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.94 -21.6 62.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 28.67 6.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.781 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 42.8 m-20 -82.0 -37.5 26.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.908 0.385 . . . . 0.0 110.719 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.2 pt -126.77 149.37 31.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.306 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -77.63 168.29 20.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 37.1 tpp -62.98 -37.17 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.227 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 28.7 ttpt -57.06 -39.48 75.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.337 0.589 . . . . 0.0 109.958 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 69' ' ' ARG . 74.4 mm-40 -74.29 -33.05 63.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.788 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.0 t80 -62.36 -43.66 98.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 63' ' ' MET . 94.3 t -59.31 -46.35 92.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.419 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB2' HG11 ' A' ' 128' ' ' VAL . 2.3 ttm180 -53.8 -48.66 69.63 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 65' ' ' GLU . 4.2 mpt_? -69.08 -36.77 77.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.564 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 70.7 mt -67.11 -38.06 84.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.674 0.273 . . . . 0.0 111.06 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.8 -24.95 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.973 0.416 . . . . 0.0 110.739 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -81.52 -12.66 58.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.077 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.8 m -75.43 148.42 83.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.188 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.66 -42.3 50.58 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.633 2.889 . . . . 0.0 113.465 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' ' 45' ' ' TYR . 3.5 mm? -64.95 -23.37 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.79 -45.92 11.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.389 0.614 . . . . 0.0 109.76 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' HD23 ' A' ' 120' ' ' LEU . 21.1 mtp180 -70.64 -45.2 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.701 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.37 -13.75 60.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.531 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -106.82 -46.18 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.88 -18.29 21.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 87.5 t80 -89.6 -71.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.4 tt0 -75.51 -49.68 3.71 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 93.8 Cg_exo -47.92 -34.29 22.05 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 122.335 2.023 . . . . 0.0 113.191 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 m-85 -87.46 -83.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.525 HG23 ' H ' ' A' ' 88' ' ' ARG . 10.8 tp 167.89 155.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -53.53 -47.86 69.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.1 m -60.57 -26.66 67.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.005 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.525 ' H ' HG23 ' A' ' 85' ' ' ILE . 15.1 tpp180 -86.33 -38.27 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 81' ' ' PHE . . . -62.81 -40.95 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.586 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 49.5 tp -57.69 -47.13 83.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.32 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -66.19 -46.28 77.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.031 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.23 -50.43 70.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.745 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.26 86.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.154 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.19 -58.97 5.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.823 -178.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 16.7 ptt85 -74.58 -18.39 60.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.782 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.6 -28.89 22.99 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.36 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.9 mt -99.48 -49.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.166 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.24 -5.15 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.46 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.87 -30.26 3.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.715 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -109.86 130.93 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.801 -0.235 . . . . 0.0 110.525 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.18 166.76 54.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.138 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.02 125.7 19.95 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.11 2.54 . . . . 0.0 112.396 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 m -107.86 -50.46 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.9 t -102.29 147.16 27.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.978 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -65.25 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.294 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.28 -43.14 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.3 -47.07 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.383 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 104' ' ' SER . 85.7 t -58.17 -54.44 32.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.763 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.36 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 111.5 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.32 -44.89 95.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -89.89 -25.61 20.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.58 -39.89 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.421 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 p -70.25 -24.37 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.657 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.92 -48.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.41 -24.98 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.287 0.565 . . . . 0.0 110.611 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -30.05 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.043 0.449 . . . . 0.0 110.143 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.1 t -82.85 -62.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.106 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -108.37 15.98 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.302 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.36 -160.52 53.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.861 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.617 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.3 tp -67.22 -46.7 51.17 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.145 -0.455 . . . . 0.0 112.149 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.5 Cg_endo -49.04 -45.88 27.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.533 2.155 . . . . 0.0 113.134 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.72 94.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.96 0.41 . . . . 0.0 110.818 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 56.0 tp -64.69 -43.45 93.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.213 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' LEU . 93.6 t -57.07 -52.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.986 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.94 -41.34 91.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.362 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.88 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.558 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 93.1 mt -82.53 -51.83 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.168 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 68' ' ' ARG . 75.5 t -63.63 -47.18 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -172.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.49 17.67 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.635 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 p -65.76 127.86 33.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.45 -24.49 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.349 -172.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 41.8 mt-10 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.03 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.428 ' OH ' ' HG3' ' A' ' 143' ' ' PRO . 29.3 t80 -66.39 -45.93 78.37 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.746 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.0 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.836 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.05 -33.93 26.34 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.462 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 16.2 t80 -62.05 -55.64 27.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.983 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -94.46 -41.75 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.127 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 113.68 149.66 10.3 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.706 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -89.69 -15.61 32.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -177.521 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.37 -23.95 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.981 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.4 m -90.56 145.39 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.805 -172.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.84 131.1 68.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.495 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HG3' ' OH ' ' A' ' 133' ' ' TYR . 33.3 Cg_exo . . . . . 0 C--N 1.344 0.314 0 C-N-CA 122.744 2.296 . . . . 0.0 112.095 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.696 0.284 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.55 133.4 14.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.3 tpp -86.11 90.81 8.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.21 0.529 . . . . 0.0 109.895 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -121.42 148.68 50.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.026 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.55 -27.91 78.72 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.209 2.606 . . . . 0.0 113.443 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 34.93 2.44 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.187 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 71.1 mt -125.05 135.03 52.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 18.9 m -81.08 -177.78 6.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.207 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.73 81.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.733 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -47.27 80.11 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.873 0.368 . . . . 0.0 111.024 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 2.6 mp0 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.554 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 37.2 mttp -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.252 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -57.74 -45.47 85.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.673 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.06 94.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.677 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.569 HG13 HG21 ' A' ' 142' ' ' VAL . 90.6 t -63.07 -48.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.156 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 25' ' ' LYS . 41.5 mm -59.54 -48.28 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.225 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.15 -42.47 96.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.347 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.36 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.1 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.122 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HZ ' ' A' ' 66' ' ' PHE . 55.4 m-85 -66.18 -36.36 82.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.106 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 2.0 ttp180 -78.38 -6.4 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.039 -177.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HG2' ' HB2' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -103.84 -25.76 12.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.86 0.362 . . . . 0.0 111.016 177.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.7 -40.4 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -112.56 -4.41 14.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.82 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mp0 . . . . . 0 N--CA 1.468 0.438 0 C-N-CA 123.383 0.673 . . . . 0.0 112.519 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 121.136 0.493 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -143.62 4.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.91 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 69.83 -41.59 0.49 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.7 m -59.43 -22.57 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.9 mm -64.15 -47.08 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.982 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.191 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 64.2 t80 -58.21 -49.19 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.547 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' SER . 85.4 mt -68.79 -44.04 74.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.77 -47.05 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.965 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -62.98 -48.46 78.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.928 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 50.2 mt-30 -54.44 -52.92 60.28 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.81 -34.86 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.961 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 57' ' ' ARG . 17.6 ttm180 -67.72 -41.51 83.39 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.93 0.395 . . . . 0.0 110.652 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.25 -21.59 65.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.99 18.32 40.5 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.62 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.04 -44.81 25.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.772 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 39.1 pt -120.27 167.67 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.401 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -99.48 176.04 5.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.998 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.42 -30.23 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.77 -54.1 43.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.348 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 46.7 mm-40 -63.9 -37.36 87.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.587 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HZ ' ' CZ ' ' A' ' 33' ' ' TYR . 41.2 t80 -64.44 -52.2 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.052 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.4 -42.18 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.218 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.569 ' HB2' HG11 ' A' ' 128' ' ' VAL . 29.8 ttm105 -54.57 -51.64 64.62 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.117 0.484 . . . . 0.0 110.894 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -70.31 -25.43 63.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.477 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -73.32 -45.91 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.669 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.67 62.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -76.18 -18.31 59.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.787 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.5 m -71.57 149.39 93.38 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-O 121.323 0.582 . . . . 0.0 111.857 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.66 -26.03 62.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.046 2.497 . . . . 0.0 112.074 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.84 -36.35 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.146 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.489 ' HD2' HD21 ' A' ' 120' ' ' LEU . 45.2 t80 -80.72 -27.86 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.808 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -59.09 -28.49 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 172.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -93.51 -38.87 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.249 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -98.5 112.01 24.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.437 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 68.42 22.86 7.72 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -100.01 -45.48 5.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 167.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 8.7 mm-40 61.22 104.04 0.03 OUTLIER Pre-proline 0 N--CA 1.457 -0.098 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.578 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.7 65.53 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.645 2.896 . . . . 0.0 112.417 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.683 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 97.2 m-85 -133.31 -162.32 1.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.414 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.499 HG12 ' H ' ' A' ' 87' ' ' SER . 15.7 tt -63.6 135.33 27.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.001 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -61.71 -17.42 55.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.2 m -61.47 -14.56 29.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.902 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -104.54 -42.25 5.49 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.425 0.631 . . . . 0.0 110.723 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.62 70.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.645 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.88 -58.8 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -64.97 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.246 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.27 -43.84 96.81 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.043 0.449 . . . . 0.0 110.473 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.33 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.383 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 98' ' ' LEU . 9.0 m-85 -55.94 -38.11 69.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.297 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -60.07 -50.28 74.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.553 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HE2' ' CD ' ' A' ' 38' ' ' GLU . 11.0 m80 -80.54 -33.91 35.93 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.4 -45.29 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.637 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 127' ' ' LEU . 46.8 mt -105.34 -47.34 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.204 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.99 -7.46 10.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.483 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -159.48 155.3 26.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.55 174.42 54.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.71 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.7 128.4 14.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.091 2.527 . . . . 0.0 112.295 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 m -99.0 15.99 23.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 108' ' ' VAL . 42.0 t -141.56 136.11 30.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.828 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -64.18 -39.95 95.07 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.81 -43.04 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.391 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 6.7 tp10 -64.77 -35.21 80.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.923 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 104' ' ' SER . 95.2 t -60.86 -59.97 3.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.28 -32.07 69.69 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.151 0.5 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -59.4 -59.77 4.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.185 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -79.03 -23.98 43.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.652 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -59.33 -42.97 92.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 0.0 109.999 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.2 m -64.11 -40.82 97.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.6 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.12 -50.01 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.76 -23.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.0 t -77.24 -37.09 53.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.4 m -91.94 -42.49 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.7 -23.57 20.58 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.771 -176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.9 -160.62 20.91 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.751 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 56.2 tp -64.95 -52.74 47.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.87 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -52.07 -42.36 59.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 122.403 2.069 . . . . 0.0 112.609 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.885 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.0 -39.76 87.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.956 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 120' ' ' LEU . 67.5 t -61.3 -51.13 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.41 -42.14 91.12 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.972 0.415 . . . . 0.0 110.836 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.96 98.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.673 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 98' ' ' LEU . 94.0 mt -80.68 -48.97 11.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.712 -176.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 68' ' ' ARG . 59.4 t -68.19 -44.25 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.715 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.58 9.9 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.734 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -66.25 116.88 7.77 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 169.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.0 mm100 -67.67 -23.91 65.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.26 -52.92 59.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -68.01 -49.29 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.131 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -62.23 -43.52 98.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.747 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -82.86 -38.65 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.536 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.53 -55.44 27.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.272 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -80.27 -38.37 31.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.095 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.8 165.14 19.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.177 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -93.47 -17.51 23.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.115 0.483 . . . . 0.0 110.44 -178.303 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.58 -25.03 19.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.328 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.9 m -65.22 130.37 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.348 0.594 . . . . 0.0 112.41 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.569 HG21 HG13 ' A' ' 28' ' ' VAL . 92.1 t -93.42 137.7 23.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.122 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.484 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 3.3 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 123.957 3.105 . . . . 0.0 113.719 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -144.2 130.25 19.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.412 ' SD ' HG22 ' A' ' 56' ' ' VAL . 48.1 ttm -83.06 98.74 9.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 0.0 110.321 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -135.53 143.2 44.11 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.32 117.37 4.07 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.67 2.247 . . . . 0.0 111.507 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.2 -17.29 2.94 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.503 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 88.0 mt -79.72 155.7 27.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 110.371 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.0 m -81.73 170.01 16.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.944 174.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.06 97.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.084 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.05 -32.65 74.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 11.1 mm-40 -64.61 -49.57 70.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.122 0.487 . . . . 0.0 109.823 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 29' ' ' ILE . 99.7 mttt -65.39 -35.92 82.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -58.75 -45.02 90.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.44 91.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.032 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.49 -49.74 83.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.992 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.2 mt -66.01 -40.42 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.71 -35.7 81.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.263 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.67 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.7 87.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HG22 ' A' ' 29' ' ' ILE . 54.9 m-85 -60.91 -44.95 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.207 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 34' ' ' ARG . 22.0 ttt180 -68.37 -22.0 64.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.185 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -85.89 -45.01 11.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.26 -46.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.415 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -86.19 -15.1 41.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.713 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 55.7 mt-10 . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.485 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' HB3' HG13 ' A' ' 49' ' ' ILE . 24.7 m-85 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 121.16 0.505 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m 56.79 -169.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.625 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -105.61 -26.44 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.074 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 m -63.69 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.877 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 45' ' ' TYR . 33.2 mm -59.54 -58.01 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.727 0.299 . . . . 0.0 111.082 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -68.41 -24.78 64.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.63 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.0 t80 -70.94 -41.93 70.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.31 -39.2 74.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.748 0.309 . . . . 0.0 110.289 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HG3' HG21 ' A' ' 29' ' ' ILE . 34.7 tt0 -54.47 -47.4 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 p -69.55 -32.46 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.372 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.8 mt-30 -64.37 -47.45 79.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.959 0.409 . . . . 0.0 110.854 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG22 ' SD ' ' A' ' 16' ' ' MET . 8.5 p -74.01 -32.35 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.003 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -74.75 -27.74 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.028 176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -67.34 -25.73 66.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 174.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 11.04 61.21 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.85 -45.29 51.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.563 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 38.1 pt -112.86 176.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.936 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.8 p -117.85 -178.77 3.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.0 mmm -63.54 -18.6 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.039 0.447 . . . . 0.0 110.261 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.22 -59.57 5.2 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.545 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 18.2 mp0 -65.97 -40.0 90.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.095 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 27.5 t80 -56.62 -56.2 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.278 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.48 -47.07 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.64 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HG11 ' A' ' 128' ' ' VAL . 10.8 ptt180 -68.27 -32.02 71.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.564 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -73.17 -34.3 65.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 90.9 mt -66.42 -48.6 69.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -71.13 -25.06 62.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.818 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 121' ' ' PRO . 55.9 tttm -76.98 -17.99 58.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.8 m -61.53 139.1 95.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.479 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.45 -26.84 46.59 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.792 2.994 . . . . 0.0 113.297 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.23 -45.24 92.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.4 -22.98 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.981 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.553 ' HA ' HD23 ' A' ' 120' ' ' LEU . 53.5 ttt-85 -80.79 -31.54 35.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.05 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -78.37 -38.24 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.38 -177.84 6.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 39.8 t80 68.4 -64.72 0.29 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HB2' HD22 ' A' ' 120' ' ' LEU . 86.5 t80 -79.44 -44.25 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 13.7 mm-40 -69.69 -49.32 21.44 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -177.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 25.6 Cg_endo -63.4 -19.48 68.16 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.055 1.836 . . . . 0.0 112.772 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -112.45 -162.17 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.422 HD13 ' H ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -119.86 167.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.507 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.52 -39.88 71.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.951 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 p -60.98 -52.74 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.451 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 53.7 mtt180 -70.05 -29.85 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.65 99.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 0.0 110.17 176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.86 -46.17 90.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.566 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 92.4 mt -67.3 -37.34 83.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.683 0.278 . . . . 0.0 110.753 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.93 79.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.426 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -58.4 -34.9 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.901 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 25.2 tpt180 -73.34 -31.71 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.514 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -81.9 -45.22 15.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.617 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 124' ' ' VAL . 64.9 mt -84.15 -74.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.896 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.96 -26.76 63.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.941 0.4 . . . . 0.0 111.162 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 78.46 21.26 70.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -137.34 -169.86 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.74 147.34 17.92 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.625 ' HB2' HG22 ' A' ' 108' ' ' VAL . 18.2 Cg_endo -59.65 112.21 1.19 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.389 2.06 . . . . 0.0 111.212 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -96.47 -22.04 17.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.857 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.2 t -97.91 140.95 31.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.956 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' ARG . 18.3 mmt180 -64.42 -40.36 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 110.367 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 46.1 mt-10 -59.76 -44.59 93.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.83 174.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 102' ' ' PRO . 41.9 tt0 -60.71 -44.97 95.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.415 -178.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.625 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.5 t -55.59 -57.95 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.939 0.399 . . . . 0.0 110.587 177.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.5 -26.27 66.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.774 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.0 tmtm? -63.7 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 110.33 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.05 -23.91 21.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.1 -40.75 90.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.116 0.484 . . . . 0.0 110.14 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 p -70.61 -36.14 73.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 110' ' ' LYS . 71.1 mt -60.29 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.966 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 123' ' ' LEU . 11.6 p -68.46 -27.53 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.466 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 m -81.44 -40.51 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.99 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.4 t -73.85 -46.19 46.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.696 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.59 -70.67 1.1 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.057 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 154.72 -174.51 33.01 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 59.8 tp -62.18 -50.52 79.67 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.82 0.31 . . . . 0.0 111.482 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.722 ' HB3' ' HG3' ' A' ' 72' ' ' LYS . 52.0 Cg_exo -55.95 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.929 1.753 . . . . 0.0 112.348 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.75 98.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.957 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 115' ' ' VAL . 64.2 tp -61.49 -49.43 76.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.144 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.501 HG13 HD11 ' A' ' 97' ' ' ILE . 96.7 t -58.96 -45.97 91.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.522 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.08 -54.78 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HA ' ' OD2' ' A' ' 129' ' ' ASP . . . -63.77 -34.0 76.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.035 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.81 -31.27 64.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.638 0.256 . . . . 0.0 111.189 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 68' ' ' ARG . 79.9 t -78.88 -33.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.511 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 126' ' ' ALA . 1.7 p30 -90.93 -4.28 56.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.581 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.9 p -54.75 138.82 41.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 54.9 tp60 -75.08 -16.66 60.55 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.524 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -61.06 -60.36 3.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 0.0 109.44 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 2.5 t80 -62.84 -36.16 82.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.914 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -68.09 -26.01 65.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.486 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.86 -20.42 33.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.667 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 1.0 OUTLIER -50.47 -65.39 0.57 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.794 -172.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -151.66 -41.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -174.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 154.52 174.58 24.71 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 119.055 -1.545 . . . . 0.0 113.81 -170.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -109.32 -4.94 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -32.77 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.933 0.397 . . . . 0.0 111.625 -170.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -77.02 159.05 30.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 143' ' ' PRO . 37.6 t -72.48 141.32 82.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 142' ' ' VAL . 78.2 Cg_exo . . . . . 0 C--N 1.348 0.536 0 C-N-CA 123.158 2.572 . . . . 0.0 114.567 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -113.33 133.59 55.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.72 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG3' HD11 ' A' ' 20' ' ' LEU . 41.5 ttm -82.03 94.16 7.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.316 0.579 . . . . 0.0 109.866 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 72.8 mttt -72.03 153.94 92.59 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.295 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.6 100.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.637 2.225 . . . . 0.0 112.232 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 34.24 53.68 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.405 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -71.46 156.11 39.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 178.721 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.51 160.43 19.42 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.33 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.564 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.25 -47.13 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.808 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.6 mp0 -61.31 -46.56 89.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.557 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.3 ttmt -62.53 -40.12 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.404 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.27 -48.57 81.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.956 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.9 99.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.521 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.1 t -62.42 -50.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.363 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.79 -37.5 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.64 -45.3 94.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.226 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.38 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.594 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.88 82.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.192 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.531 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 43.9 m-85 -70.31 -23.44 62.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 40.7 ttp180 -83.27 -16.77 45.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.156 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.75 -44.85 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.424 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.473 HD11 HG13 ' A' ' 67' ' ' VAL . 49.8 mm -76.53 -60.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.432 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.82 4.2 31.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.072 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 38.0 mt-10 . . . . . 0 N--CA 1.466 0.334 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.642 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -161.27 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.977 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.97 -47.92 67.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -60.82 -36.37 78.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.759 0.79 . . . . 0.0 110.445 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.531 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 75.4 mt -67.44 -47.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.24 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 p -69.09 -31.66 70.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.823 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.31 -52.5 61.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.228 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.83 -38.19 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.356 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.78 -50.44 72.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.197 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 m -61.3 -38.33 86.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -69.99 -42.82 72.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.66 -31.55 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.332 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.84 -32.3 73.48 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.628 175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.48 -19.31 60.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.23 11.37 75.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.544 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.67 -45.6 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.112 0.482 . . . . 0.0 110.35 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.1 pt -119.95 140.36 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.282 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.1 p -74.92 173.02 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpt -68.26 -30.64 69.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.7 ' HE2' ' HA ' ' A' ' 129' ' ' ASP . 79.2 tttt -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.956 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 68' ' ' ARG . 28.3 tp10 -64.69 -42.71 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.06 -53.01 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.332 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.473 HG13 HD11 ' A' ' 36' ' ' ILE . 56.3 t -60.11 -42.9 91.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 27.0 ttp180 -61.24 -42.15 98.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -65.42 -36.11 82.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.045 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.58 -54.81 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.24 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.407 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -74.12 -18.79 60.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.158 -174.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 12.6 tmtt? -79.13 -22.32 45.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -71.36 154.96 93.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.703 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -54.61 -26.47 46.26 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.741 2.961 . . . . 0.0 114.051 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.15 -53.76 53.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -68.0 -32.96 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.618 0.723 . . . . 0.0 109.469 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.573 ' HA ' HD23 ' A' ' 120' ' ' LEU . 30.0 ttm180 -66.09 -42.34 89.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.664 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 82' ' ' GLU . 97.1 mttt -76.42 -11.4 59.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.722 0.296 . . . . 0.0 111.138 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.65 -44.08 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 0.0 111.046 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -115.09 48.19 1.19 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.705 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -165.73 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.456 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.606 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 33.6 mm-40 -77.85 -59.26 0.81 Allowed Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.757 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 58.9 Cg_endo -77.93 -53.79 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.42 1.413 . . . . 0.0 111.769 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.3 131.86 35.23 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.7 pt -83.07 170.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.923 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.5 p30 -52.17 -32.64 36.85 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.274 -177.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 m -52.67 -50.51 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.664 0.386 . . . . 0.0 111.624 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -91.11 -27.67 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.73 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -56.89 -42.88 80.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.753 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.69 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.28 -52.38 61.6 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.19 -37.59 83.94 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.293 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.88 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.617 0.246 . . . . 0.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HD1' HD12 ' A' ' 98' ' ' LEU . 25.7 m-85 -56.72 -39.55 74.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.101 0.476 . . . . 0.0 111.424 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -81.27 -39.09 25.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.676 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.55 -33.75 58.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 85.5 mt -95.24 -60.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.662 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.675 HD11 HD22 ' A' ' 127' ' ' LEU . 73.2 mt -78.18 -18.22 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.435 -173.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.42 21.39 76.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.808 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -117.29 -56.58 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.529 . . . . 0.0 111.133 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.1 172.68 37.23 Favored Glycine 0 N--CA 1.442 -0.94 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 16.1 Cg_exo -68.2 88.93 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.45 2.1 . . . . 0.0 111.441 176.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -75.16 -39.57 60.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.456 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.631 ' HB2' ' OE1' ' A' ' 106' ' ' GLU . 13.6 p -128.36 149.02 50.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.746 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 6.5 tpt180 -65.87 -34.22 77.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 110.992 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 4.3 pm0 -67.58 -37.88 83.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.24 -36.2 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 102' ' ' PRO . 86.8 t -56.72 -57.93 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.427 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.0 -38.47 86.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.869 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.61 -48.2 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.854 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.8 -23.33 17.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.86 -37.52 84.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.112 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -62.79 -34.04 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.258 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.82 -46.85 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -71.02 -18.83 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.1 t -82.25 -28.39 31.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.4 p -100.5 -49.2 4.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.21 -4.47 56.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.916 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.26 -170.95 51.41 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.642 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 31.9 tp -63.73 -46.4 82.44 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.7 Cg_endo -49.55 -45.89 29.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.452 2.102 . . . . 0.0 113.01 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.4 88.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.435 HD22 ' HB ' ' A' ' 115' ' ' VAL . 63.2 tp -62.86 -50.37 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.472 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.48 -47.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.402 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 19.6 t70 -56.45 -48.18 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.782 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 130' ' ' SER . . . -59.61 -39.85 85.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 98' ' ' LEU . 94.2 mt -72.22 -49.31 36.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.575 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 43.2 t -76.82 -41.78 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.7 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.2 t70 -81.12 -6.37 58.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -173.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' ALA . 95.5 p -62.8 142.22 58.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.452 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 89.7 mm-40 -80.61 -20.35 43.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.876 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.02 -55.2 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.43 ' O ' ' HD1' ' A' ' 137' ' ' PHE . 54.6 t80 -66.73 -41.26 88.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.471 ' HA ' ' HE1' ' A' ' 137' ' ' PHE . . . -57.19 -41.14 78.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.375 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.84 -32.06 72.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.104 0.478 . . . . 0.0 110.492 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.48 -56.56 11.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.278 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.504 ' HD1' ' H ' ' A' ' 137' ' ' PHE . 0.3 OUTLIER -102.24 -26.86 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.305 -172.182 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.35 151.1 27.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.91 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 pm0 -74.52 -9.19 58.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.833 0.316 . . . . 0.0 111.519 -173.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.01 -13.44 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.62 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 18.9 m -93.35 148.66 21.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -170.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -87.16 130.24 48.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.857 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 C--O 1.236 0.398 0 C-N-CA 123.37 2.713 . . . . 0.0 112.871 178.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.3 m-85 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -123.47 141.81 51.63 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.805 -173.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.482 ' SD ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -89.4 43.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.967 172.104 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD21 ' A' ' 20' ' ' LEU . 24.0 pttm -88.87 156.02 49.83 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.82 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.3 151.46 83.32 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.927 2.418 . . . . 0.0 111.836 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.57 45.3 6.51 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.106 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HG2' ' A' ' 24' ' ' GLU . 84.5 mt -126.72 157.88 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.811 0.339 . . . . 0.0 110.5 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -80.96 162.85 23.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.49 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.68 -32.88 74.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG2' HD22 ' A' ' 20' ' ' LEU . 13.8 tp10 -67.59 -48.77 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.882 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HE2' ' HB2' ' A' ' 20' ' ' LEU . 71.7 mmtt -57.24 -42.63 81.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.393 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -63.27 -44.87 93.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.901 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.94 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.282 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 14' ' ' TYR . 51.7 t -61.67 -49.76 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.094 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.4 mt -65.0 -43.39 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.29 -43.92 97.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.34 99.29 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -60.55 -51.48 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -56.53 -35.81 68.52 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 63.7 ttt180 -74.65 -26.67 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.206 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -91.05 -6.48 53.8 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.772 -0.58 . . . . 0.0 111.553 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 32' ' ' ALA . 51.0 mm -90.27 -58.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' HE1' ' HB2' ' A' ' 76' ' ' TYR . 33.9 m-85 -121.31 6.14 10.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.518 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 15.6 tp10 . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.919 0.866 . . . . 0.0 108.715 -167.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m 66.37 124.48 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.728 0.775 . . . . 0.0 112.409 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.67 -28.86 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.365 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -60.06 -37.03 78.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.8 mm -66.9 -39.86 84.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.338 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -70.38 -33.11 71.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.87 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.623 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.9 t80 -67.86 -51.42 48.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.67 -38.25 84.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 39.2 tt0 -57.84 -42.53 84.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.995 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -79.01 -33.32 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.42 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 18.2 mm100 -59.52 -50.12 75.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.642 0.258 . . . . 0.0 110.906 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.8 p -71.28 -32.84 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -60.08 -40.68 90.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.969 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.54 -1.77 56.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.04 27.97 63.32 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.89 -39.66 42.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.266 0.555 . . . . 0.0 109.861 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -122.39 144.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.9 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -75.82 160.86 29.53 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.6 tpp -56.23 -27.36 54.63 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 110.275 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HD2' HG12 ' A' ' 128' ' ' VAL . 21.3 tptm -50.23 -59.62 3.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.874 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.03 -28.01 64.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.587 -174.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.0 t80 -64.96 -62.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.016 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.444 HG22 HD11 ' A' ' 36' ' ' ILE . 53.3 t -57.55 -42.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.255 0.55 . . . . 0.0 110.6 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 75.7 ttt180 -54.77 -56.7 16.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.376 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.672 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.8 mt -69.64 -46.05 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.221 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -10.0 59.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.509 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.83 16.08 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.984 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -77.61 147.5 75.04 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.597 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.73 -34.13 95.5 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.696 2.264 . . . . 0.0 112.204 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.9 tp -61.38 -53.55 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 177.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.688 ' HB2' ' HE1' ' A' ' 37' ' ' PHE . 87.7 t80 -67.52 -33.73 75.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.693 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HA ' HD23 ' A' ' 120' ' ' LEU . 59.9 ttp180 -60.55 -39.98 89.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -72.3 -35.32 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.9 mm-40 -69.96 133.36 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.489 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 83' ' ' PRO . 72.0 m-85 72.74 -41.84 0.52 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.539 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HB2' HD22 ' A' ' 120' ' ' LEU . 76.2 t80 -65.35 -27.71 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.638 -177.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 5.9 mm-40 -83.12 -53.14 0.6 Allowed Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 35.5 Cg_exo -63.03 -31.79 76.22 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.09 1.86 . . . . 0.0 112.83 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -120.4 130.36 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 pt -73.62 176.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.263 . . . . 0.0 110.995 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.04 -35.93 62.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -61.91 -38.16 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.957 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.09 -35.32 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.61 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.1 -58.79 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.385 175.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.19 -38.01 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.54 -45.12 94.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.188 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.86 92.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.512 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 14.1 m-85 -58.34 -40.24 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.363 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -83.64 -27.85 28.83 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -77.59 -27.85 51.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.815 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.493 HD12 HD12 ' A' ' 127' ' ' LEU . 72.8 mt -102.86 -69.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.686 0.279 . . . . 0.0 111.248 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 127' ' ' LEU . 62.2 mt -69.34 -41.05 77.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.53 17.71 11.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -145.43 -84.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.744 0.772 . . . . 0.0 111.721 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 155.85 172.32 23.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.073 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.58 155.59 40.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.789 2.326 . . . . 0.0 112.086 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.8 p -90.14 -62.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -133.58 174.7 10.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -171.501 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 105' ' ' ARG . 49.2 mtt180 -54.79 -47.73 73.6 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.514 0.509 . . . . 0.0 112.365 -171.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -58.91 -46.06 88.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.3 -37.85 84.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.945 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' SER . 97.0 t -62.7 -58.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.265 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 112' ' ' PHE . 2.5 mp0 -61.92 -28.66 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -57.63 -57.14 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.757 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -79.58 -23.48 42.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 109' ' ' GLN . 89.1 t80 -61.6 -34.59 75.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.157 0.503 . . . . 0.0 109.867 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 m -65.45 -34.24 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.375 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.29 -46.14 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.64 -21.18 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.4 t -82.22 -47.65 12.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.6 t -69.67 -55.8 8.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.449 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -93.19 -41.18 4.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.599 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.86 -172.58 15.17 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.826 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.9 tp -59.17 -51.09 84.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.814 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 37.2 Cg_exo -58.91 -33.0 98.45 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.731 1.621 . . . . 0.0 112.503 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.21 79.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.939 0.399 . . . . 0.0 110.324 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.9 tp -66.78 -38.21 86.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.818 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.66 -51.7 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.438 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.35 -42.31 81.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.705 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.33 77.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.493 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -87.66 -36.41 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 64' ' ' LYS . 58.2 t -80.46 -27.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.897 0.379 . . . . 0.0 111.238 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -98.51 13.87 30.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.429 0.633 . . . . 0.0 110.371 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -71.32 137.5 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -70.52 -49.71 45.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.728 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.34 -39.76 91.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.37 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -70.15 -39.36 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.24 95.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.068 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.08 -29.73 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.951 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -83.01 -55.78 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.91 -42.42 9.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.45 171.17 26.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.518 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.52 -37.94 10.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.515 0.197 . . . . 0.0 111.482 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.638 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 52.3 mt-10 -70.82 -33.78 71.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.315 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 90.9 m -88.8 122.24 32.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 143' ' ' PRO . 25.6 t -63.72 128.4 92.73 Favored Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 142' ' ' VAL . 39.6 Cg_exo . . . . . 0 CA--C 1.522 -0.124 0 C-N-CA 123.533 2.822 . . . . 0.0 112.889 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.319 0.58 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 141' ' ' THR . . . -147.71 141.88 26.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.899 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.552 ' SD ' HG22 ' A' ' 56' ' ' VAL . 46.5 ttm -103.32 106.36 16.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.245 0.545 . . . . 0.0 109.747 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -126.96 156.9 73.43 Favored Pre-proline 0 C--N 1.316 -0.869 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.591 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.36 108.61 0.53 Allowed 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.262 1.974 . . . . 0.0 111.523 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.46 38.01 0.43 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.131 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -117.45 168.62 10.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.965 0.412 . . . . 0.0 110.704 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.601 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 20.3 m -103.08 -177.09 3.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.438 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 -55.23 23.24 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -35.24 79.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 2.1 mp0 -58.87 -50.25 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.872 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' ILE . 82.1 mttt -61.99 -46.79 87.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.721 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -61.52 -40.16 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.213 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.09 95.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 96.3 t -65.21 -40.49 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.777 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 33' ' ' TYR . 67.7 mt -64.54 -45.72 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.36 -46.15 89.45 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.131 0.491 . . . . 0.0 110.567 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.94 89.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.29 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.63 74.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HG22 ' A' ' 29' ' ' ILE . 28.7 m-85 -55.11 -60.43 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.268 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.97 -22.6 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.88 -173.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -80.31 -43.85 20.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.242 -0.287 . . . . 0.0 111.204 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.41 -48.12 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.662 ' HA ' ' HE1' ' A' ' 76' ' ' TYR . 82.6 m-85 -84.49 -5.24 59.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.576 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HG3' ' HZ ' ' A' ' 80' ' ' PHE . 28.7 mm-40 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.039 0.447 . . . . 0.0 111.457 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.375 0.607 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.406 ' HB3' HG12 ' A' ' 49' ' ' ILE . 39.3 t -140.17 150.14 43.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.5 -30.4 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.0 110.815 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 24.5 m -63.85 -28.82 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.986 177.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 46' ' ' SER . 49.6 mm -73.15 -46.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -61.57 -34.45 75.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 71.2 t80 -59.45 -55.18 37.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.8 mt -58.37 -43.53 88.47 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.98 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 29' ' ' ILE . 26.6 tt0 -53.58 -51.09 64.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.344 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 -39.01 83.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 25.5 mm-40 -63.64 -55.51 23.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.2 p -66.97 -33.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.857 0.36 . . . . 0.0 110.604 -176.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.02 -47.81 83.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -82.47 -6.74 59.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.94 31.31 23.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.91 -41.22 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.28 0.562 . . . . 0.0 109.75 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.8 pt -122.32 161.34 23.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.08 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -81.2 160.51 24.3 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.266 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.8 tpt -65.23 -37.5 87.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 139' ' ' GLU . 13.0 tmtt? -59.13 -37.89 78.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.426 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.55 -34.32 65.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.1 t80 -60.88 -47.39 86.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.77 -48.47 88.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.992 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HB2' HG11 ' A' ' 128' ' ' VAL . 1.5 ttm-85 -59.88 -42.84 94.64 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -70.97 -41.07 71.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.769 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD13 ' HE1' ' A' ' 37' ' ' PHE . 71.5 mt -60.62 -49.16 78.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 111.323 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.27 63.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.47 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.27 -9.6 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.107 0.48 . . . . 0.0 110.412 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.3 m -70.56 144.95 92.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.26 -30.28 71.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.149 2.566 . . . . 0.0 112.17 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 tp -55.2 -53.46 55.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HE1' ' HA ' ' A' ' 37' ' ' PHE . 32.0 t80 -71.09 -34.57 71.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 0.0 110.635 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.79 ' HG2' HD23 ' A' ' 120' ' ' LEU . 43.9 mtp180 -69.64 -25.97 64.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.181 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 9.8 mmmm -77.15 -11.61 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.83 -61.0 1.52 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.699 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.495 ' HZ ' ' HG3' ' A' ' 38' ' ' GLU . 12.2 m-85 -95.8 62.73 2.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.641 -175.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.5 ' HB2' HD22 ' A' ' 120' ' ' LEU . 73.0 t80 -178.49 -64.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 19.5 tt0 -67.45 -48.65 44.68 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -172.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 6.7 Cg_exo -76.23 10.19 2.2 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.258 1.972 . . . . 0.0 112.595 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -130.17 176.17 8.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 88' ' ' ARG . 32.4 pt -89.65 149.97 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.54 -39.61 77.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.27 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 t -58.63 -39.57 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 25.5 ttt180 -87.1 -32.07 20.11 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.797 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.16 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.117 0.484 . . . . 0.0 109.914 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.583 HD12 HD21 ' A' ' 123' ' ' LEU . 30.6 tp -56.92 -48.43 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.961 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 33.2 tt0 -64.17 -40.68 96.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.559 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.8 mt -61.39 -37.78 84.66 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.124 0.488 . . . . 0.0 110.871 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.03 83.75 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.427 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.585 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 34.9 m-85 -57.54 -39.92 77.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.533 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 90.2 mtt180 -58.89 -50.07 75.38 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -84.28 -36.43 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.7 mt -83.78 -49.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.0 -8.16 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.52 43.87 98.36 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.292 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 27.7 ttt-85 -159.29 114.91 2.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.461 -0.199 . . . . 0.0 110.461 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.61 143.64 30.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.551 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 108' ' ' VAL . 56.4 Cg_endo -72.11 99.36 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -82.48 -33.61 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.3 m -84.88 131.12 34.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -63.59 -36.3 83.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.687 0.28 . . . . 0.0 110.649 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.53 -35.35 79.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.313 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.29 -44.36 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.615 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 102' ' ' PRO . 71.7 t -58.81 -53.69 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.13 -30.69 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.17 -58.28 9.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 95.7 m-85 -74.15 -23.94 59.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' HG12 ' A' ' 115' ' ' VAL . 90.2 t80 -61.15 -36.48 79.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.5 . . . . 0.0 109.833 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -68.0 -29.89 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.474 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.83 -46.72 34.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 112' ' ' PHE . 11.0 p -70.93 -22.54 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.569 -176.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 p -85.16 -53.9 4.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.312 . . . . 0.0 111.267 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -75.82 -46.84 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.555 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.24 -47.94 4.76 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.76 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.57 173.97 14.34 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.79 HD23 ' HG2' ' A' ' 77' ' ' ARG . 46.4 tp -63.09 -46.31 86.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.486 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -52.95 -37.82 78.68 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.096 1.864 . . . . 0.0 112.229 176.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.84 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.575 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.583 HD21 HD12 ' A' ' 90' ' ' LEU . 41.9 tp -58.92 -54.21 49.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.41 -42.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.894 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.55 -41.91 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.566 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.63 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.187 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 91.8 mt -69.1 -52.01 32.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 68' ' ' ARG . 46.6 t -69.63 -36.31 70.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.808 0.337 . . . . 0.0 111.567 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.17 31.2 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.313 0.577 . . . . 0.0 110.906 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 133' ' ' TYR . 24.3 p -76.2 139.52 41.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.02 -45.72 86.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.893 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.71 -45.87 81.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.64 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.425 ' HB3' ' OG ' ' A' ' 130' ' ' SER . 70.5 t80 -64.79 -46.07 83.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.045 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.0 -49.08 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.693 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.23 -30.71 54.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -72.2 -48.97 39.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.165 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -88.56 -40.81 13.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.863 -169.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.04 -168.51 23.46 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.65 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 pt-20 -117.72 -1.19 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 141' ' ' THR . 6.0 pt-20 -93.03 -45.22 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 140' ' ' GLU . 4.1 m -79.19 155.56 28.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -168.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.2 t -95.2 122.55 59.52 Favored Pre-proline 0 CA--C 1.53 0.211 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo . . . . . 0 C--O 1.236 0.404 0 C-N-CA 122.66 2.24 . . . . 0.0 113.569 -175.692 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.207 0.527 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.48 125.13 26.78 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.344 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.5 ttm -80.38 94.79 6.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.399 0.618 . . . . 0.0 110.705 -175.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 62.6 mttm -95.9 145.91 30.38 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.15 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.14 112.07 1.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.614 2.209 . . . . 0.0 110.926 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.88 7.71 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.309 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.84 146.95 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.586 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 4.2 m -63.57 150.72 43.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.119 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.59 72.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.503 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.68 -35.75 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 49.7 mt-10 -71.92 -41.23 68.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.007 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 93.7 mttt -58.15 -44.39 87.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.401 175.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -59.46 -42.0 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.5 85.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.175 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.2 t -57.68 -45.35 86.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.589 HD13 ' HG3' ' A' ' 53' ' ' GLU . 74.3 mt -65.69 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 33' ' ' TYR . 38.4 ttpt -68.68 -33.81 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 0.0 110.592 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.28 84.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.446 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.28 82.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 29.0 m-85 -54.74 -53.43 55.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 48.9 mtm180 -70.25 -22.41 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.591 -173.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -89.18 -42.61 11.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.65 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 mm -75.68 -48.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.632 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -82.67 -29.15 30.17 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.753 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.1 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.948 0.404 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 17.9 t -162.87 -151.01 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 71.36 -74.03 0.09 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.698 0.624 . . . . 0.0 110.087 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -68.17 -40.7 82.21 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 61.4 mt -67.52 -44.29 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.943 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 p -66.9 -32.04 73.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -62.08 -45.2 94.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.953 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.97 -45.55 81.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.589 ' HG3' HD13 ' A' ' 29' ' ' ILE . 38.2 tt0 -58.21 -42.2 85.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -55.32 -49.69 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.606 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.1 p -78.08 -37.5 22.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.09 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 57' ' ' ARG . 18.3 ttm180 -66.09 -30.23 70.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 110.552 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -74.17 -18.85 60.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.36 21.08 55.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.775 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.77 -36.02 18.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.683 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 pt -116.09 157.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.814 0.34 . . . . 0.0 110.449 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 13.0 m -72.41 146.45 46.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -33.86 76.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.452 0.644 . . . . 0.0 109.424 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 128' ' ' VAL . 18.5 tptm -53.06 -42.04 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.763 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 7.5 tp10 -68.38 -42.5 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.566 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.09 -42.05 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 143' ' ' PRO . 61.3 t -63.36 -44.37 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.262 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB2' HG11 ' A' ' 128' ' ' VAL . 39.5 ttp180 -59.14 -38.09 78.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.744 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HD3' ' HE2' ' A' ' 72' ' ' LYS . 12.1 mmt180 -64.46 -45.78 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.24 -41.02 97.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.006 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.455 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -69.8 -29.69 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.349 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.599 ' HE2' ' HD3' ' A' ' 69' ' ' ARG . 65.9 pttt -96.23 10.96 36.17 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.08 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 m -74.51 144.09 80.25 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.431 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 87.7 Cg_exo -48.63 -41.03 38.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.522 2.815 . . . . 0.0 113.457 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.25 -36.72 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 111.011 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -73.11 -24.26 60.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 120' ' ' LEU . 78.3 mtp180 -82.83 -29.65 29.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.871 175.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 74.4 mmtt -71.79 -32.64 67.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.479 . . . . 0.0 109.912 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -96.35 -175.97 3.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.9 t80 68.11 -70.12 0.13 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.56 -16.77 53.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.455 . . . . 0.0 111.116 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.601 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -75.13 -51.38 3.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.666 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 3.1 Cg_exo -78.44 -23.19 8.83 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 0.0 112.513 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.84 114.19 22.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.1 pt -66.72 172.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.02 -43.86 19.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.016 0.526 . . . . 0.0 111.553 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -59.63 -31.25 69.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.351 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -103.97 -29.72 10.75 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.886 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.12 78.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 111' ' ' TYR . 39.2 tp -61.05 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.67 -48.95 77.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.373 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 80' ' ' PHE . 1.5 tt -64.45 -44.39 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB2' ' HZ ' ' A' ' 80' ' ' PHE . . . -63.59 -46.8 84.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.352 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.58 -49.28 76.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 110.264 -178.745 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 95' ' ' ARG . 10.5 ttm180 -68.76 -29.44 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.04 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 36' ' ' ILE . 5.7 t-80 -76.97 -30.59 56.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.495 -175.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 127' ' ' LEU . 70.9 mt -93.4 -51.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.436 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 127' ' ' LEU . 77.7 mt -94.92 -25.61 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.45 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.67 -4.71 79.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.407 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 43.9 ttt85 -114.43 140.33 48.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.26 155.26 21.35 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.491 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.11 129.61 33.94 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.673 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 t -123.21 -38.43 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 1.2 m -87.95 136.54 32.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -67.06 -35.58 80.16 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.542 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -78.21 -31.69 49.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.664 ' HB3' ' HB2' ' A' ' 104' ' ' SER . 27.5 tt0 -59.9 -47.44 85.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.029 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 104' ' ' SER . 92.3 t -57.67 -54.63 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.669 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -57.16 -36.54 70.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.702 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 114' ' ' ILE . 61.6 tttm -59.51 -59.88 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.433 . . . . 0.0 110.597 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 90' ' ' LEU . 92.7 m-85 -72.99 -28.12 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.562 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.58 -38.95 93.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.034 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -70.25 -31.85 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.083 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 110' ' ' LYS . 77.2 mt -66.39 -47.58 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.529 ' HB ' HD22 ' A' ' 123' ' ' LEU . 15.0 p -72.05 -29.06 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.437 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.7 m -83.18 -45.3 14.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.628 0.252 . . . . 0.0 111.428 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 t -80.85 -46.06 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 -177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.6 -60.06 1.94 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.83 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.35 174.27 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.289 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.585 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 61.1 tp -60.1 -49.99 88.34 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.561 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -56.74 -31.59 88.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 121.945 1.763 . . . . 0.0 112.172 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.99 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.529 HD22 ' HB ' ' A' ' 115' ' ' VAL . 54.7 tp -61.34 -48.24 82.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -58.26 -45.67 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.301 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.93 -42.59 99.28 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.775 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.6 75.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.521 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 97' ' ' ILE . 99.1 mt -84.09 -31.67 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.829 0.347 . . . . 0.0 111.864 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.4 t -85.44 -42.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.89 -30.22 61.24 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 p -58.49 127.39 31.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.162 0.506 . . . . 0.0 111.37 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 50.6 tp60 -63.35 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.357 -174.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.38 -52.58 64.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.685 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 137' ' ' PHE . 21.6 m-85 -77.74 -22.29 50.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -69.34 -51.61 35.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.13 0.49 . . . . 0.0 110.745 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.78 -51.59 57.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.381 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -75.94 -25.68 56.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -172.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 57.6 m-85 -90.71 -40.95 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.113 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.94 131.04 7.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.707 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 20.5 mm-40 -79.1 -19.11 52.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.791 0.329 . . . . 0.0 111.252 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -84.86 -13.55 50.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 0.0 110.072 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.1 m -84.65 144.05 28.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.141 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.9 t -88.19 127.53 56.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.586 172.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.601 ' HD2' HG21 ' A' ' 67' ' ' VAL . 60.6 Cg_endo . . . . . 0 CA--C 1.532 0.41 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HB3' HG13 ' A' ' 28' ' ' VAL . 96.6 m-85 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.4 151.4 38.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.533 ' SD ' HG22 ' A' ' 56' ' ' VAL . 51.7 ttm -113.15 112.8 24.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.103 0.478 . . . . 0.0 110.835 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -135.87 154.62 77.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.372 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.59 127.23 25.31 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.48 2.12 . . . . 0.0 111.712 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.95 25.62 5.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.402 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -117.66 147.39 42.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.646 0.26 . . . . 0.0 110.389 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.7 m -73.85 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.78 -38.7 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.2 tp10 -61.89 -53.3 57.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.8 mttt -61.3 -42.23 98.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.281 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -54.84 -42.84 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.55 83.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' GLU . 89.5 t -61.51 -43.18 96.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.925 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.563 HG21 ' HG3' ' A' ' 53' ' ' GLU . 77.2 mt -63.56 -45.81 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.965 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.9 -34.47 78.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.153 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.29 86.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.0 -55.65 32.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.711 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -58.31 -32.12 68.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.72 -29.47 62.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -105.46 -30.12 9.77 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.89 -177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 143' ' ' PRO . 36.2 mm -67.62 -40.67 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.591 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.42 -10.57 19.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.368 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -150.64 -35.4 0.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.623 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -60.91 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.826 -175.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -61.13 -30.26 70.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.257 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.1 -57.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -67.41 -22.24 65.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 44.6 t80 -62.68 -54.95 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.478 HD22 ' HD3' ' A' ' 69' ' ' ARG . 88.2 mt -65.49 -38.01 88.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.576 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.563 ' HG3' HG21 ' A' ' 29' ' ' ILE . 36.0 tt0 -59.87 -44.7 94.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.841 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -66.21 -31.67 72.64 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.108 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 74.6 mt-30 -63.83 -53.19 54.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.531 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG22 ' SD ' ' A' ' 16' ' ' MET . 10.8 p -69.0 -36.64 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.78 -41.23 97.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.13 -33.75 76.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.525 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.12 14.47 20.57 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.666 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.17 -40.47 90.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.276 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 65' ' ' GLU . 30.3 pt -135.28 154.67 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -95.22 -175.47 3.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.0 mmt -68.83 -33.46 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 78.8 tttt -54.36 -53.12 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 0.0 109.794 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 16.8 tp10 -67.08 -39.96 86.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.782 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.71 -48.67 79.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.28 -44.29 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.992 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 128' ' ' VAL . 23.7 ttp85 -60.05 -44.49 94.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.277 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.478 ' HD3' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.36 -39.91 92.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.205 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.1 -49.75 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.401 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -76.34 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 9.9 ttpp -90.8 4.99 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.505 . . . . 0.0 110.467 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -77.42 142.6 67.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.239 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.91 -31.82 75.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.324 2.683 . . . . 0.0 112.418 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.3 -41.12 98.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.591 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -74.0 -24.3 59.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.154 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.1 ttt180 -80.34 -29.99 38.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.029 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -85.13 -37.74 19.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.617 ' HA ' ' HD1' ' A' ' 84' ' ' PHE . 54.3 m-85 67.8 -61.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.782 0.676 . . . . 0.0 111.95 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.82 -33.67 73.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.936 0.494 . . . . 0.0 112.218 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -96.02 -49.03 0.25 Allowed Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 33.9 Cg_exo -62.54 -33.81 77.27 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.1 1.867 . . . . 0.0 112.694 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 80' ' ' PHE . 89.0 m-85 -106.18 166.06 10.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.417 HG23 ' H ' ' A' ' 88' ' ' ARG . 13.5 tt -74.73 148.4 7.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -51.9 -37.87 54.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.839 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 m -63.54 -31.16 72.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.898 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' H ' HG23 ' A' ' 85' ' ' ILE . 16.1 tpt180 -85.92 -34.34 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.93 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.487 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 123' ' ' LEU . 44.2 tp -59.33 -51.41 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.61 -43.05 93.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.464 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.5 -38.39 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.923 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.38 81.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.528 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' A' ' 98' ' ' LEU . 52.1 m-85 -57.84 -46.71 84.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.097 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -65.02 -28.32 69.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -83.77 -35.36 24.41 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.945 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 127' ' ' LEU . 71.8 mt -94.25 -50.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.622 -175.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD12 ' HD1' ' A' ' 94' ' ' PHE . 82.6 mt -89.87 -12.71 38.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 110.548 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.78 0.66 89.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.669 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -154.36 150.63 28.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.79 -178.32 40.62 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.939 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -61.15 150.77 82.88 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.074 2.516 . . . . 0.0 112.552 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -95.0 -38.26 10.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.213 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.9 t -130.3 155.5 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.06 -21.35 59.05 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.773 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -61.99 -43.01 99.75 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.04 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.275 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 104' ' ' SER . 82.6 t -58.27 -59.2 3.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.19 -36.72 78.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.403 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.43 -51.79 68.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -83.51 -19.69 35.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.535 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -67.49 -34.55 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.2 t -64.53 -42.94 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.38 -45.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 123' ' ' LEU . 10.9 p -71.95 -24.25 22.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.185 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.3 m -84.54 -27.31 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.334 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.4 t -97.28 -63.68 1.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.12 -33.98 38.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.3 179.57 20.13 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.287 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 37.4 tp -62.23 -48.29 88.0 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.496 -0.288 . . . . 0.0 111.694 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.9 Cg_exo -55.51 -33.28 85.83 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.984 1.789 . . . . 0.0 112.5 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.49 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 90' ' ' LEU . 59.1 tp -61.18 -48.22 82.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.082 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 71' ' ' ALA . 84.5 t -57.38 -44.2 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.452 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.06 -49.79 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.794 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.41 -33.27 73.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.733 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 97' ' ' ILE . 93.3 mt -81.96 -42.76 18.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.565 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.8 t -74.67 -35.96 39.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.074 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 29.8 t70 -87.29 14.89 7.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.77 0.795 . . . . 0.0 110.337 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -72.89 106.56 4.86 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 17.1 mm100 -68.27 -11.99 60.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.274 -177.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.42 -51.51 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.544 0.688 . . . . 0.0 109.226 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -66.79 -41.39 87.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.964 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.515 ' O ' ' HA2' ' A' ' 138' ' ' GLY . . . -67.5 -24.1 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.774 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.68 -48.32 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.004 0.43 . . . . 0.0 111.077 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -65.69 -49.93 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.486 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -98.36 -41.55 7.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 134' ' ' ALA . . . 107.87 146.43 12.51 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.081 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.738 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 9.8 pt-20 -77.07 -5.07 47.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.128 0.49 . . . . 0.0 110.717 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -84.06 -15.57 46.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.67 176.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.5 m -90.47 140.62 29.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.337 -169.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.36 121.84 68.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.43 172.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.606 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.2 Cg_endo . . . . . 0 C--O 1.233 0.241 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.56 ' HB3' HG13 ' A' ' 28' ' ' VAL . 97.2 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.77 144.07 30.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 13.2 mmt -100.39 105.14 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -135.3 147.29 61.52 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.812 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.65 107.61 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.435 2.09 . . . . 0.0 111.03 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 55.48 0.13 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.79 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.25 156.95 45.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.518 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 5.8 m -81.92 162.21 22.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.357 177.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.31 83.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.73 -36.33 83.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 45.5 mt-10 -66.13 -48.14 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.14 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 29' ' ' ILE . 94.7 mttt -62.43 -42.37 99.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.753 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.48 -41.5 76.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.8 81.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 14' ' ' TYR . 64.7 t -67.3 -48.23 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 25' ' ' LYS . 59.6 mt -57.97 -48.69 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.346 -176.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 93.3 mttt -68.85 -32.74 72.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.218 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.38 -50.83 72.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.935 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.446 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 49.5 m-85 -53.54 -43.1 68.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 76.5 mtt180 -60.99 -47.37 86.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.026 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -89.54 -25.32 21.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.4 mm -69.42 -44.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.75 -6.36 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.412 -178.355 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 81.4 p -167.81 -146.68 0.07 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.757 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 67.51 -83.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.506 0.722 . . . . 0.0 110.598 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -67.98 -33.28 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.64 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 56.6 mt -68.05 -47.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.462 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 9.1 p -70.82 -21.78 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.0 t80 -63.01 -49.8 73.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -37.77 85.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.092 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -56.73 -45.34 81.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.009 175.32 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.2 m -73.26 -25.93 60.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 16.4 mm100 -64.83 -47.13 79.11 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.733 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.89 -30.92 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.601 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.3 ttp180 -68.1 -33.99 75.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.114 0.483 . . . . 0.0 110.269 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.46 -30.83 70.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.06 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.3 13.17 56.4 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.3 -37.25 66.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 110.125 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 pt -114.73 156.62 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.396 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.5 p -87.32 166.45 14.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 1.9 tpt -62.09 -36.33 81.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.255 0.55 . . . . 0.0 109.855 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 32.2 tptt -64.02 -49.09 73.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.871 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.03 -35.39 80.42 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 64.3 t80 -59.66 -45.88 90.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.365 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 63' ' ' MET . 88.1 t -59.43 -44.22 92.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 176.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 128' ' ' VAL . 9.4 ttp180 -61.06 -46.84 89.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.955 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -62.63 -30.57 71.45 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.8 mt -71.44 -53.0 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.3 -12.6 60.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.863 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.611 ' HG3' ' HA ' ' A' ' 121' ' ' PRO . 80.3 tttt -93.52 1.59 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.451 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 63.4 m -97.94 157.39 34.66 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 111.778 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 11.5 Cg_endo -55.38 -26.25 52.14 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.809 3.006 . . . . 0.0 113.981 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.26 -42.99 96.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.659 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 65.1 t80 -72.92 -29.76 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.423 0.63 . . . . 0.0 109.566 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -67.9 -50.29 57.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.84 -54.18 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.417 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -86.56 10.35 15.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 73.8 m-85 -132.47 -65.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.32 -28.84 62.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.6 tt0 -66.65 -53.74 26.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.247 -177.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 62.6 Cg_endo -77.1 -39.89 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.678 1.586 . . . . 0.0 112.587 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 88' ' ' ARG . 66.4 m-85 -101.31 113.8 27.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.27 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.0 pt -67.9 -177.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -172.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -41.83 -54.14 3.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.759 -1.11 . . . . 0.0 113.643 -170.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -63.14 -31.78 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -173.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.536 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 72.3 mtt-85 -80.69 -36.15 32.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.7 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.716 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.22 -48.37 81.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.51 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -54.16 46.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.403 HD13 ' HD1' ' A' ' 80' ' ' PHE . 96.0 mt -63.18 -39.32 94.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.597 -176.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.99 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.97 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.405 ' HZ ' ' CD2' ' A' ' 111' ' ' TYR . 8.2 m-85 -58.37 -37.55 75.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.539 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -79.52 -15.98 56.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.876 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.3 -44.51 7.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.75 0.309 . . . . 0.0 110.98 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 124' ' ' VAL . 92.7 mt -73.8 -40.98 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.15 0.5 . . . . 0.0 111.48 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 133' ' ' TYR . 71.7 mt -116.67 -23.98 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.413 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.1 27.88 73.42 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -171.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -112.77 -76.66 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.858 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 -178.08 16.45 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.546 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.91 106.06 1.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.36 2.04 . . . . 0.0 111.895 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -57.37 -69.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.991 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 m -139.76 179.05 6.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.427 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 105' ' ' ARG . 17.2 ptt180 -57.48 -45.55 84.73 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -172.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 105' ' ' ARG . 41.0 mt-10 -68.67 -34.73 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.054 -176.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 6.0 mp0 -63.24 -44.56 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' SER . 97.6 t -57.23 -56.23 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.419 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.954 -176.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.06 -57.56 12.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.71 0.29 . . . . 0.0 111.127 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 83.4 m-85 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.434 -175.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HA ' HG12 ' A' ' 115' ' ' VAL . 92.5 t80 -62.2 -38.98 91.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 110.04 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.0 m -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -45.71 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.737 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.507 ' O ' ' HA2' ' A' ' 119' ' ' GLY . 8.4 p -72.92 -18.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.985 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -84.99 -43.25 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.721 0.296 . . . . 0.0 110.243 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -72.55 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.66 -44.1 4.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.959 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . 114.23 -165.22 12.04 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.983 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.45 -49.03 96.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.611 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 82.6 Cg_exo -48.67 -40.16 38.18 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 122.125 1.883 . . . . 0.0 112.681 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.66 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.772 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.407 HD22 ' HB ' ' A' ' 115' ' ' VAL . 60.6 tp -59.34 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.121 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.423 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 93.2 t -62.15 -43.13 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.931 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.61 -35.24 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 68' ' ' ARG . 64.6 t -83.95 -40.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.784 -0.367 . . . . 0.0 111.911 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.44 -17.83 60.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 t -67.39 127.39 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -56.74 -36.51 69.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.695 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.9 mp0 -59.58 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.603 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 35.3 m-85 -74.77 -23.02 58.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.876 -177.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.843 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -75.36 -44.64 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.99 -58.99 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.872 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.35 -34.33 76.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.779 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.603 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 93.4 m-85 -96.22 3.21 53.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 135.92 0.88 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.151 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.605 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 9.3 pt-20 -104.72 -15.9 15.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 174.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.11 -43.99 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 8.0 m -88.1 147.85 24.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.173 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.453 HG22 ' SD ' ' A' ' 63' ' ' MET . 15.3 t -73.55 128.48 87.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.346 0.409 0 C-N-CA 122.897 2.398 . . . . 0.0 112.776 -177.812 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG22 ' A' ' 28' ' ' VAL . 91.2 m-85 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . . . -147.26 142.81 27.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.104 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mmt -82.41 98.65 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 111.205 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' A' ' 15' ' ' ALA . 89.4 mttt -122.71 137.04 27.33 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.41 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.4 Cg_exo -71.45 113.29 3.57 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.837 2.358 . . . . 0.0 110.926 171.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.7 -0.81 5.9 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.08 156.24 18.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.681 0.277 . . . . 0.0 110.413 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -67.84 157.35 35.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.185 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.19 95.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.895 0.378 . . . . 0.0 110.978 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.44 -31.1 71.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.2 tp10 -67.55 -48.81 65.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.64 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.33 -44.49 84.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.292 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.09 -41.64 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.77 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.808 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 24' ' ' GLU . 58.1 t -56.34 -44.29 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.599 HG21 ' HG2' ' A' ' 53' ' ' GLU . 63.5 mt -63.87 -51.25 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.589 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.5 -31.51 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.81 0.338 . . . . 0.0 110.641 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.98 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.63 -47.67 82.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' HE2' ' A' ' 37' ' ' PHE . 44.8 m-85 -61.05 -44.65 97.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -53.77 -45.05 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.527 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -87.82 -44.01 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.369 -0.378 . . . . 0.0 112.007 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 67' ' ' VAL . 20.6 mt -70.38 -43.24 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.599 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' HE2' ' HD1' ' A' ' 33' ' ' TYR . 92.6 m-85 -84.27 -9.06 58.81 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.031 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 N--CA 1.466 0.333 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.928 175.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.592 0.234 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 m 68.64 146.49 0.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.417 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -81.74 -25.24 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.008 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 t -65.09 -39.2 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.255 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -67.56 -41.02 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 p -74.08 -26.14 60.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.674 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.12 -40.17 96.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.281 0.562 . . . . 0.0 109.658 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' SER . 69.1 mt -63.8 -38.39 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.799 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -63.19 -49.69 73.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.55 177.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -51.32 -42.63 61.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.65 -46.31 83.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.979 -178.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.21 -29.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.657 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -47.7 80.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.044 0.45 . . . . 0.0 109.983 175.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.1 -29.39 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.141 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.7 27.99 11.94 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.021 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.79 -35.71 38.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 pt -116.6 149.26 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.626 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -76.98 165.15 25.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 142' ' ' VAL . 2.5 ttm -71.32 -28.12 63.87 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.178 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HE2' ' NH2' ' A' ' 68' ' ' ARG . 1.4 tmtp? -63.53 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.11 -45.75 76.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 110.127 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.03 -48.17 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.12 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 HD11 ' A' ' 36' ' ' ILE . 78.0 t -59.73 -47.37 91.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.123 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 125' ' ' ASP . 11.7 ttm-85 -61.59 -39.42 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.281 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HD2' HD22 ' A' ' 52' ' ' LEU . 19.2 ttm180 -72.2 -36.3 69.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.802 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.48 -40.69 63.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.048 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 124' ' ' VAL . . . -76.21 -17.53 59.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.524 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' A' ' 125' ' ' ASP . 44.6 mtpt -103.04 17.58 23.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.636 0.255 . . . . 0.0 110.846 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -74.39 151.84 87.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.353 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.58 -33.91 80.65 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.85 2.367 . . . . 0.0 112.095 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.8 tp -67.53 -49.85 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.962 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.73 -37.08 86.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.379 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HA ' HD23 ' A' ' 120' ' ' LEU . 75.9 ttt180 -67.71 -29.97 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.925 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -77.85 -17.49 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.229 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.3 mm-40 -95.94 143.08 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.688 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.466 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 70.3 m-85 68.39 -60.44 0.42 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.658 0.783 . . . . 0.0 112.88 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' A' ' 120' ' ' LEU . 82.5 t80 -62.94 -33.02 74.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.708 0.29 . . . . 0.0 111.749 -174.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.4 tm-20 -78.3 -57.68 0.88 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.392 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 46.9 Cg_endo -69.81 -39.44 6.41 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.852 1.701 . . . . 0.0 113.65 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.466 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 99.1 m-85 -97.41 165.13 12.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.765 0.317 . . . . 0.0 110.695 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -77.27 149.13 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.302 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -52.85 -36.6 59.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.886 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -64.47 -22.28 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.728 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.64 -36.74 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.8 86.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.385 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 48.0 tp -56.74 -50.93 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.87 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.82 -46.49 89.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.54 -40.32 96.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.64 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.36 69.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.026 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.477 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 30.5 m-85 -56.24 -45.39 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.52 -37.28 77.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.752 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -76.75 -30.79 56.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -96.08 -48.78 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.678 0.275 . . . . 0.0 111.598 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.45 -25.99 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.444 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.43 5.04 59.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.913 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -138.42 -70.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.321 0.582 . . . . 0.0 110.615 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 141.94 -149.55 21.26 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -174.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HB3' HG22 ' A' ' 108' ' ' VAL . 15.9 Cg_exo -69.52 132.03 22.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.752 2.302 . . . . 0.0 112.152 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -81.3 -39.76 24.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.483 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 108' ' ' VAL . 64.6 p -146.41 163.95 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.559 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -72.81 -21.86 60.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.791 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -75.65 -36.9 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.96 -39.56 90.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 104' ' ' SER . 94.5 t -55.51 -52.23 49.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.288 174.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.63 -35.32 80.63 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.67 -177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -61.76 -47.85 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.479 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.1 m-85 -81.58 -19.56 41.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.378 . . . . 0.0 110.056 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -71.31 -29.52 65.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.916 0.389 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.9 mt -68.53 -50.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.99 -23.59 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.3 t -84.83 -18.63 34.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.603 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.8 t -85.59 -50.21 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.96 -37.17 2.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.542 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.33 -165.58 13.73 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 36.9 tp -60.34 -49.42 90.52 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.477 -0.297 . . . . 0.0 111.647 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 71.5 Cg_exo -51.61 -39.08 66.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.086 1.857 . . . . 0.0 112.77 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.7 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.51 -52.04 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 71' ' ' ALA . 75.2 t -58.91 -46.89 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.053 -178.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.694 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 23.1 t70 -58.83 -47.33 85.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.614 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.22 75.84 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 111.368 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.01 -54.78 15.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 53.6 t -66.41 -35.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.0 111.022 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.71 -37.57 76.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.036 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.1 p -46.33 124.01 5.33 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 112.514 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 89.8 mm-40 -72.51 -19.39 61.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.68 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.83 -52.42 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 143' ' ' PRO . 29.2 t80 -67.4 -38.49 84.76 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.833 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -64.83 -32.67 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.748 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -80.57 -30.78 36.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -75.26 -47.25 28.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.263 -176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.18 -40.25 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 111.517 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.97 174.55 19.66 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.116 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 12.6 pt-20 -90.71 -9.78 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.337 0.589 . . . . 0.0 110.104 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 7.2 pt-20 -99.98 -32.52 10.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.933 -171.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.9 m -81.02 145.52 31.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.551 -172.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.555 HG22 ' SD ' ' A' ' 63' ' ' MET . 45.5 t -71.35 116.62 49.07 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 171.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 41.0 Cg_exo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.976 2.451 . . . . 0.0 111.946 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.24 155.95 41.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.761 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mmt -83.04 109.84 17.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 0.0 109.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 39.9 mtmt -101.01 149.69 36.44 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 -173.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 22.5 Cg_exo -65.38 108.86 1.26 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.471 2.114 . . . . 0.0 111.65 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.35 43.93 23.67 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.588 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -95.89 151.62 19.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 110.66 179.32 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.9 t -74.87 159.61 31.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.073 0.463 . . . . 0.0 111.6 -170.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.57 77.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.278 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.39 -47.18 85.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.188 0.518 . . . . 0.0 110.359 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 20' ' ' LEU . 29.2 mt-10 -60.48 -44.66 95.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.668 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HE2' HD11 ' A' ' 20' ' ' LEU . 35.6 ttmt -63.62 -47.37 81.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.299 -1.318 . . . . 0.0 111.698 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.65 -45.19 81.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 0.0 110.756 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.79 -43.31 94.49 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.138 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 24' ' ' GLU . 90.9 t -67.13 -43.41 88.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 25' ' ' LYS . 76.8 mt -60.01 -48.8 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.09 -37.51 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.719 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.53 87.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.563 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.08 82.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.635 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -64.51 -36.16 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.78 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.738 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.6 mtp85 -75.35 -9.19 58.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -104.41 -44.38 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.072 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.13 -53.44 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.076 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.49 -5.89 28.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.599 . . . . 0.0 109.856 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.738 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 40.2 mt-10 . . . . . 0 C--O 1.234 0.284 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.96 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB3' HG12 ' A' ' 49' ' ' ILE . 46.6 t -127.57 147.31 50.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.698 0.285 . . . . 0.0 110.236 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.51 -29.05 68.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 0.0 110.589 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 43.8 m -57.33 -37.33 72.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.331 175.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 46' ' ' SER . 50.6 mm -68.53 -41.47 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.135 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.0 m -60.83 -35.54 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 48.8 t80 -69.89 -41.48 74.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.112 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' SER . 97.2 mt -61.82 -43.26 99.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.92 -46.88 78.34 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.306 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -61.22 -39.39 90.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.224 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 51.7 mt-30 -65.85 -46.55 78.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 0.0 111.438 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.52 -24.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.063 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 67.8 ttt180 -69.14 -33.49 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.928 177.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -91.7 0.4 57.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.873 0.368 . . . . 0.0 110.678 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 23.69 77.73 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.284 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.97 -34.16 57.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 0.0 109.81 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.7 pt -123.93 145.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.101 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.8 p -74.33 170.36 15.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.7 mmt -66.62 -32.78 74.33 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.633 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.25 -44.62 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 11.3 mm-40 -66.16 -46.82 76.07 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.947 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 38.8 t80 -54.03 -47.51 71.49 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.556 0.535 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.05 -41.81 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 68' ' ' ARG . 2.9 ttm180 -61.09 -38.58 86.78 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 110.385 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 8.0 mmt85 -72.84 -38.72 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 88.5 mt -64.45 -42.07 96.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . . . -69.01 -28.19 66.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 14.7 tmtt? -77.25 -22.17 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.114 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.3 m -64.17 137.47 97.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.795 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.83 -34.99 68.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.343 2.695 . . . . 0.0 113.434 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 54.3 tp -58.03 -58.46 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.752 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 67.9 t80 -64.32 -41.38 96.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -54.29 -50.29 67.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.931 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 82' ' ' GLU . 73.5 tttt -71.44 -32.5 68.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.811 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 28.4 mm-40 -54.24 -35.79 62.86 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 78.1 m-85 -115.64 13.17 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.601 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -109.84 -37.9 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.599 ' HG2' ' HG3' ' A' ' 78' ' ' LYS . 79.2 mm-40 -73.34 -55.47 3.64 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 11.8 Cg_endo -90.73 -4.76 4.62 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.346 2.031 . . . . 0.0 113.133 -174.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 95.6 m-85 -120.24 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.203 0.525 . . . . 0.0 111.155 -175.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.93 162.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.684 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -45.99 -49.76 15.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.201 0.6 . . . . 0.0 111.739 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -55.82 -44.81 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.108 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -82.02 -33.86 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.923 -175.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.51 86.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.076 0.465 . . . . 0.0 109.838 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 123' ' ' LEU . 38.3 tp -60.87 -46.35 90.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.392 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -59.7 -47.27 86.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.89 -29.94 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.236 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.68 -51.07 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.94 -27.85 69.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -48.29 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.451 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.43 -21.56 20.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.387 -168.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.5 mt -95.78 -62.7 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.144 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 127' ' ' LEU . 5.0 mp -84.77 -34.86 22.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.98 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.1 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.693 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -139.67 -74.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 110.565 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.13 173.51 13.41 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.739 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.0 Cg_exo -72.75 124.6 9.85 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.863 2.376 . . . . 0.0 111.772 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.0 p -73.54 -67.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.29 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 108' ' ' VAL . 24.1 t -145.74 173.83 11.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.934 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -53.81 -32.51 52.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.579 0.549 . . . . 0.0 112.353 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.5 -57.6 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 111.077 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 110' ' ' LYS . 4.2 tp10 -65.59 -35.42 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.907 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 104' ' ' SER . 88.2 t -60.89 -57.14 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.164 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -61.77 -36.6 81.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.707 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' OE1' ' A' ' 107' ' ' GLU . 68.4 tttt -53.72 -51.48 63.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.434 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -83.32 -23.7 32.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -62.03 -36.45 81.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.023 0.439 . . . . 0.0 110.208 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.93 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.509 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -70.49 -25.72 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.708 -177.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 p -84.48 -46.1 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.781 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -84.42 -56.52 3.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.7 -36.72 52.98 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.243 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.16 170.57 17.0 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.56 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.3 tp -58.88 -50.04 90.15 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.726 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -57.01 -38.83 95.03 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.848 1.699 . . . . 0.0 112.287 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.95 99.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.581 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.509 HD22 ' HB ' ' A' ' 115' ' ' VAL . 39.8 tp -61.49 -53.9 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.366 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 71' ' ' ALA . 86.6 t -57.84 -43.43 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.105 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.99 -44.84 83.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.289 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.8 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.283 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 98' ' ' LEU . 94.3 mt -78.97 -43.91 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.98 -44.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.707 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.29 8.66 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.2 t -53.5 121.98 8.82 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.127 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -60.41 -37.2 80.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.525 ' O ' ' HD2' ' A' ' 136' ' ' TYR . 2.0 mp0 -57.3 -56.35 22.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.823 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 98' ' ' LEU . 84.0 t80 -56.62 -46.25 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.026 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.17 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.958 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.21 -46.66 12.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 111.151 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.525 ' HD2' ' O ' ' A' ' 132' ' ' GLU . 77.5 m-85 -70.8 -45.65 64.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.697 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -91.97 -36.34 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 111.379 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.14 130.55 5.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.478 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.68 -14.92 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.794 0.331 . . . . 0.0 111.432 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.02 -22.77 36.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.824 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.7 m -88.73 143.51 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.95 133.42 65.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 123.373 2.715 . . . . 0.0 112.158 178.41 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.0 m-85 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.85 135.98 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.7 tpp -83.19 45.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.022 0.915 . . . . 0.0 108.725 173.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.699 ' HG3' ' HB3' ' A' ' 20' ' ' LEU . 17.0 pttm -52.01 138.52 35.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.515 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 52.0 Cg_exo -52.65 113.97 1.48 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.088 2.525 . . . . 0.0 112.862 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.73 48.75 6.46 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.739 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -104.45 155.79 18.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.958 0.409 . . . . 0.0 111.578 -177.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -68.59 162.99 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.752 -168.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 -50.53 67.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.813 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.89 -40.94 81.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.1 mm-40 -58.08 -51.89 67.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.491 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 33.8 ttmt -61.75 -43.2 99.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.316 -174.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -58.74 -39.94 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.46 -38.17 74.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 24' ' ' GLU . 84.0 t -62.51 -48.68 87.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.525 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 53' ' ' GLU . 75.6 mt -63.92 -36.77 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.75 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -62.47 -45.74 91.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.65 86.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.92 -55.08 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.275 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -65.88 -29.8 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 33.5 ttt180 -79.85 -12.21 59.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 6.1 tp-100 -106.74 -45.31 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.61 0.243 . . . . 0.0 111.573 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.33 -57.14 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' ' 70' ' ' LEU . 76.4 m-85 -99.45 0.96 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.072 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 52.6 mt-10 . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.573 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.707 0.289 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -50.9 135.61 24.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.054 0.454 . . . . 0.0 111.897 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' HG3' ' H ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.55 -15.8 61.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.183 -177.517 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -63.1 -32.07 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.58 -42.19 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.123 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.103 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.07 -42.62 85.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.262 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.5 mt -65.61 -42.71 91.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.802 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG21 ' A' ' 29' ' ' ILE . 32.7 tt0 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.6 t -59.32 -41.62 89.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.78 -40.97 68.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.015 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.41 -29.33 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.222 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -67.6 -33.5 75.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.113 0.482 . . . . 0.0 110.346 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -87.87 3.54 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.07 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.83 22.54 68.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.487 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.11 -38.99 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.294 0.569 . . . . 0.0 109.72 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -114.69 137.62 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.638 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -73.24 164.94 25.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.112 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.0 tpp -61.37 -42.73 99.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.316 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 128' ' ' VAL . 83.3 tttt -54.68 -39.3 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 175.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.82 -41.11 60.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.584 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 53.0 t80 -59.75 -50.07 75.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.12 -43.18 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.695 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -56.44 -53.12 61.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.344 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -58.05 -45.45 87.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 74.4 mt -58.68 -52.91 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 111.43 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -75.39 -15.12 60.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.593 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -91.1 -10.53 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.11 0.481 . . . . 0.0 109.865 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -71.74 149.79 93.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.181 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -52.77 -25.6 27.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.329 2.686 . . . . 0.0 113.114 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.83 86.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -81.31 -23.34 37.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.293 0.568 . . . . 0.0 110.058 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.532 ' HA ' HD23 ' A' ' 120' ' ' LEU . 74.3 mtp180 -70.48 -23.05 62.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.178 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -93.82 -64.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.67 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 71.6 mt-30 -78.75 143.85 35.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.033 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 76.5 m-85 73.35 4.87 4.94 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.923 0.764 . . . . 0.0 111.757 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.48 -66.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.45 -49.88 90.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.22 9.34 1.8 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.732 1.621 . . . . 0.0 113.012 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.53 160.25 32.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.24 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.12 154.72 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.61 -37.76 42.07 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -69.86 -25.56 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.346 . . . . 0.0 111.541 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -81.57 -45.39 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.484 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -29.7 71.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.762 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 123' ' ' LEU . 23.0 tp -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.806 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.08 -38.81 86.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.885 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.11 -44.61 94.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.62 68.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.798 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 16.3 m-85 -58.06 -40.85 82.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.545 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -68.49 -27.76 66.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -86.03 -22.6 27.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 HG13 ' A' ' 124' ' ' VAL . 72.1 mt -101.72 -59.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.679 -176.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.2 mt -93.92 -26.18 16.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.109 0.48 . . . . 0.0 110.715 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.28 10.77 61.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.84 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 2.0 tpm_? -155.85 130.68 9.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 94' ' ' PHE . . . -84.67 169.02 44.41 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.489 ' HB2' HG22 ' A' ' 108' ' ' VAL . 36.9 Cg_endo -64.66 145.36 86.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.841 2.361 . . . . 0.0 111.82 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -121.71 -30.77 4.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.801 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.1 m -94.13 149.05 21.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.678 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.93 -45.14 82.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.268 -0.173 . . . . 0.0 111.196 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.81 -40.76 85.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.835 0.826 . . . . 0.0 109.586 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.92 -51.07 66.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.75 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 104' ' ' SER . 75.3 t -58.32 -49.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.35 -41.29 84.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.559 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 114' ' ' ILE . 66.0 tttm -58.6 -51.7 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -75.36 -31.3 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.89 -37.12 85.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 0.0 110.317 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.2 m -71.62 -27.99 63.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.779 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 110' ' ' LYS . 85.2 mt -70.96 -51.25 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.542 HG23 ' HA ' ' A' ' 120' ' ' LEU . 14.9 p -66.77 -31.64 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.707 -176.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.2 p -78.94 -35.69 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.84 0.352 . . . . 0.0 111.579 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 m -86.44 -44.77 11.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.685 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.22 -15.4 32.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.05 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.5 168.41 30.05 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 39.5 tp -59.18 -49.78 91.16 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 14.7 Cg_endo -57.33 -23.72 56.23 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.401 2.068 . . . . 0.0 113.037 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.66 -43.68 25.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 90' ' ' LEU . 30.7 tp -58.61 -50.48 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.391 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 97' ' ' ILE . 77.8 t -61.75 -43.74 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.88 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 121' ' ' PRO . 1.9 t70 -60.41 -44.16 96.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.535 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.38 97.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.141 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.34 -49.85 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.542 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.586 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 59.3 t -68.8 -34.49 64.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 111.257 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.13 -31.96 71.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.0 p -50.11 131.82 23.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.331 0.586 . . . . 0.0 112.356 -171.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.98 -32.26 73.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.049 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.43 -51.67 61.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.337 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.539 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 55.5 t80 -64.98 -52.74 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.97 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.94 99.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.79 -41.73 18.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -77.39 -33.11 55.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.753 0.311 . . . . 0.0 111.28 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.539 ' HD1' ' HA ' ' A' ' 133' ' ' TYR . 91.6 m-85 -102.95 -41.33 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.247 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 120.39 135.91 5.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.079 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -7.89 47.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.218 0.533 . . . . 0.0 111.147 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.55 -14.14 15.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.026 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.5 m -90.09 142.64 27.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.2 130.28 91.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.463 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.8 Cg_exo . . . . . 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.313 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG13 ' A' ' 28' ' ' VAL . 78.4 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -133.56 138.4 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.587 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 tpp -82.33 86.63 6.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 20' ' ' LEU . 53.4 pttt -117.07 136.1 23.24 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 44.9 Cg_exo -57.62 120.12 7.82 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.708 2.272 . . . . 0.0 111.483 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.81 -21.67 4.17 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 17' ' ' LYS . 83.5 mt -79.59 148.55 31.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.627 0.251 . . . . 0.0 110.407 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -84.51 171.18 12.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -22.47 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.62 -50.42 37.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.7 mp0 -61.9 -45.08 95.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.299 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.45 -38.38 77.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -58.62 -44.37 89.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.11 77.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.355 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 14' ' ' TYR . 87.2 t -62.0 -52.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 110.74 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG21 ' HG3' ' A' ' 53' ' ' GLU . 38.8 mt -67.48 -35.77 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.482 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.29 -44.6 88.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.961 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.92 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.729 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 29' ' ' ILE . 46.8 m-85 -59.57 -40.37 87.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.015 177.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -67.88 -52.04 41.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.038 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -67.17 -32.73 74.03 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HA ' ' NE2' ' A' ' 96' ' ' HIS . 58.2 mt -91.38 -43.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 70' ' ' LEU . 79.8 m-85 -107.77 -31.87 7.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.93 -172.926 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 t 56.8 -84.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.894 0.878 . . . . 0.0 113.315 170.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.29 -34.0 77.12 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 -171.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -66.59 -26.37 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.511 . . . . 0.0 110.333 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -73.79 -54.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.383 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.5 -31.33 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.5 t80 -58.44 -56.68 19.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.083 176.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.76 -37.06 85.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG3' HG21 ' A' ' 29' ' ' ILE . 35.3 tt0 -57.56 -46.79 83.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -67.74 -38.36 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 87.1 mm-40 -62.43 -41.2 98.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.323 . . . . 0.0 111.214 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.37 -25.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -68.63 -43.48 76.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.209 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.01 -37.45 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.456 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.05 17.42 7.31 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.817 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -36.76 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -128.95 149.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.192 174.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 t -89.84 -179.85 5.82 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 38.3 tpp -64.24 -28.25 69.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 109.738 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.768 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 80.1 tttt -57.43 -46.36 83.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.459 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 4.3 mp0 -74.84 -39.14 61.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.4 t80 -60.17 -56.93 15.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD11 ' A' ' 36' ' ' ILE . 89.0 t -61.96 -43.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 21.4 ttp180 -61.45 -43.6 98.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.344 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -71.44 -33.51 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.2 mt -69.76 -40.16 76.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 110.619 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -73.73 -21.28 60.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 62.7 pttt -108.57 20.43 18.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 0.0 110.476 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -73.51 157.73 87.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -25.41 70.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 111.974 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.9 tp -72.2 -46.43 56.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 120' ' ' LEU . 10.7 t80 -70.31 -20.01 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.397 0.618 . . . . 0.0 109.787 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.6 ttt180 -80.8 -41.67 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.225 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 62.7 mmtt -76.13 -41.51 49.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -90.04 174.32 7.71 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 169.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' HE1' ' HB3' ' A' ' 92' ' ' LEU . 77.0 t80 65.89 -70.71 0.09 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.41 -29.42 64.89 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.787 0.435 . . . . 0.0 111.625 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.61 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 9.9 tp10 -88.27 -53.96 0.35 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 24.1 Cg_exo -64.09 -33.71 60.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.054 1.836 . . . . 0.0 112.824 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -105.34 157.69 17.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.085 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.6 tt -77.06 149.39 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.246 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -52.18 -38.7 58.55 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.1 p -59.97 -49.88 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 110.848 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -67.68 -35.96 79.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.132 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.815 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.483 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 25.0 tp -57.13 -44.22 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.306 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' HG2' ' HG3' ' A' ' 102' ' ' PRO . 35.7 mt-10 -59.13 -49.07 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.645 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 5.4 tt -64.53 -40.28 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.05 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 13.7 m-85 -57.9 -38.2 75.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.479 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -83.21 -18.04 40.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.566 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.562 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 3.2 t-160 -85.59 -30.15 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.918 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 127' ' ' LEU . 74.2 mt -102.24 -47.88 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.91 0.386 . . . . 0.0 111.227 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 127' ' ' LEU . 52.3 mt -100.18 -17.29 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 -175.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.89 18.32 68.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.804 -175.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 100' ' ' ARG . 5.1 tpp180 -97.8 -79.51 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 0.0 111.45 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 94' ' ' PHE . . . 105.16 143.69 12.14 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -172.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HG3' ' HG2' ' A' ' 91' ' ' GLU . 14.0 Cg_endo -55.76 116.83 3.44 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.979 2.453 . . . . 0.0 112.574 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -115.07 -21.58 9.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.003 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 m -128.07 147.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.698 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -69.49 -35.95 76.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.681 0.276 . . . . 0.0 110.302 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.2 -44.49 97.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.3 -49.49 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.552 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' SER . 61.8 t -57.41 -56.49 14.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.817 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.58 -37.69 79.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.844 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -57.44 -57.62 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 110.911 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -78.43 -25.54 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.73 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -62.37 -39.66 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.04 0.448 . . . . 0.0 109.893 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -66.64 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.381 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.12 -48.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -73.52 -20.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.5 t -79.46 -23.86 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.858 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 p -99.74 -63.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.782 0.325 . . . . 0.0 111.596 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -87.68 -6.77 76.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.613 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.45 -167.12 42.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.613 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 54.1 tp -58.66 -49.8 91.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 10.2 Cg_endo -51.63 -41.64 60.26 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.433 2.088 . . . . 0.0 112.908 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.83 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.7 0.286 . . . . 0.0 110.81 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.77 -50.87 69.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.609 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 71' ' ' ALA . 80.8 t -57.73 -48.01 84.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.769 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.6 -47.08 86.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.01 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 111.611 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -74.46 -45.02 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.576 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 42.5 t -83.15 -37.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.583 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 34.3 t70 -77.71 -22.49 50.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.5 p -58.7 149.01 27.27 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.155 0.502 . . . . 0.0 111.716 -175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -71.63 -38.99 70.71 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.495 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.95 -58.08 9.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.331 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 30.5 m-85 -74.01 -23.11 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.868 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.99 -53.95 49.23 Favored 'General case' 0 CA--C 1.522 -0.104 0 O-C-N 123.49 0.494 . . . . 0.0 111.152 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -82.85 -22.41 34.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.821 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 87.2 t80 -64.93 -52.72 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 98' ' ' LEU . 83.3 m-85 -87.08 -40.93 14.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.995 0.426 . . . . 0.0 110.678 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.97 102.67 2.57 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.3 pt-20 -69.45 -4.47 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.037 0.446 . . . . 0.0 111.874 -176.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -89.4 -26.77 20.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 11.4 m -97.57 157.4 16.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.618 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.85 121.86 86.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.258 -178.743 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.027 0.441 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.8 133.01 37.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.84 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 56' ' ' VAL . 43.6 ttm -102.43 114.77 29.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.916 0.389 . . . . 0.0 110.34 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 7.7 ptmm? -134.08 148.96 70.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.018 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 38.7 Cg_exo -58.25 117.32 4.02 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.916 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.24 -19.04 5.46 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.031 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.518 ' HG ' ' HG2' ' A' ' 17' ' ' LYS . 86.6 mt -76.96 155.64 32.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 39.6 t -73.73 157.99 35.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.898 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.21 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.889 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.3 mm-40 -64.45 -45.36 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.974 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 29' ' ' ILE . 98.6 mttt -62.18 -47.06 86.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.513 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.62 -33.79 74.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.166 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.78 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.342 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 24' ' ' GLU . 83.8 t -65.12 -42.56 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.504 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 61.1 mt -62.73 -42.07 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.499 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -61.57 -42.27 98.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.383 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 35' ' ' GLN . . . -62.7 -39.82 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.731 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.38 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -61.84 -50.73 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.282 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.8 mtp85 -63.37 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.075 -178.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 11.0 mm100 -80.56 -38.16 30.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.532 HD11 HG22 ' A' ' 67' ' ' VAL . 51.9 mt -89.18 -45.6 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.45 -21.88 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.465 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.5 mt-10 . . . . . 0 N--CA 1.466 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HB2' HD11 ' A' ' 49' ' ' ILE . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 t -67.14 179.41 1.19 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.431 -172.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' SER . 51.1 tt0 70.54 -60.41 0.5 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.196 -170.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -62.21 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 45' ' ' TYR . 68.5 mt -61.38 -53.97 41.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 p -66.28 -29.78 70.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.794 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 41.8 t80 -60.65 -57.16 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.25 -37.1 86.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.458 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 24.2 tt0 -55.14 -57.54 11.34 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.478 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 57' ' ' ARG . 19.5 p -61.43 -30.06 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.9 mt-30 -61.18 -54.22 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG22 ' SD ' ' A' ' 16' ' ' MET . 11.6 p -75.42 -32.91 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.196 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 67.0 ttt180 -61.64 -28.65 69.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.626 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -101.23 4.78 42.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 111.204 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.0 30.41 65.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.405 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.73 -27.91 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 47.3 pt -132.33 145.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.438 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -72.24 167.11 21.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.45 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.563 ' SD ' HG22 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -53.76 -39.96 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 79.9 tttt -47.79 -51.8 21.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.299 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.709 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.3 mm-40 -69.15 -33.66 73.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.25 -45.67 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 36' ' ' ILE . 69.7 t -62.34 -47.17 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.624 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 84.1 mtp180 -55.87 -50.94 69.24 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -76.28 -23.21 54.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.913 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.9 mt -71.77 -47.59 52.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.5 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -82.0 -4.29 56.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.051 0.453 . . . . 0.0 111.159 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -106.69 4.31 27.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.271 0.558 . . . . 0.0 109.894 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.4 p -75.73 161.73 74.92 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 55.5 Cg_exo -53.8 -30.55 57.68 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.773 2.316 . . . . 0.0 112.377 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.73 -48.88 77.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -75.4 -23.48 57.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.184 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.254 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 14.3 mmmm -89.56 -64.76 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 79.3 mt-30 -71.37 162.62 29.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 81.3 m-85 69.03 -56.18 0.54 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.682 0.613 . . . . 0.0 111.828 -175.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -71.72 -41.19 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.6 tt0 -83.28 -52.67 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 31.6 Cg_endo -65.11 -10.35 25.31 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.102 1.868 . . . . 0.0 113.336 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.97 -174.62 3.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 tp -104.55 155.64 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.852 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -50.72 -45.23 58.45 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.869 0.468 . . . . 0.0 111.456 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -62.54 -29.59 70.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.643 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -81.19 -42.82 20.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.022 -178.757 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -65.93 -28.64 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.631 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.92 -53.68 55.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.65 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.43 -29.21 68.63 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 89' ' ' ALA . 87.4 mt -63.26 -45.6 90.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.44 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.914 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.21 -59.84 3.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.438 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 54.3 mtm180 -65.35 -41.72 93.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.105 -173.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -80.59 -30.86 36.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.932 -171.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.74 -43.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.351 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.77 -16.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.225 -176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.22 15.5 81.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.129 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' ARG . 41.7 ttp180 -146.88 156.38 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' HA2' ' HG2' ' A' ' 95' ' ' ARG . . . -82.45 159.87 39.22 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.954 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.06 128.62 24.6 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.659 2.239 . . . . 0.0 111.648 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 p -102.11 -42.31 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.625 -172.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 47.9 m -108.92 136.88 47.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.392 . . . . 0.0 111.224 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.51 -41.17 93.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.936 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -71.94 -22.64 61.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.438 ' O ' ' HD1' ' A' ' 111' ' ' TYR . 5.8 tp10 -67.52 -46.37 73.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.13 -48.73 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.433 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.521 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 114' ' ' ILE . 2.5 ttmp? -62.4 -58.77 6.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.287 0.565 . . . . 0.0 110.028 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' HA ' HD12 ' A' ' 114' ' ' ILE . 82.4 m-85 -68.49 -22.14 64.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.206 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.89 -42.25 90.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.174 0.511 . . . . 0.0 109.757 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -67.17 -36.99 82.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.1 mt -62.25 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.113 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 120' ' ' LEU . 8.5 p -67.92 -21.9 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.791 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -80.06 -46.36 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.329 . . . . 0.0 111.231 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.9 p -85.96 -49.1 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.853 0.358 . . . . 0.0 111.813 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -35.36 22.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.951 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.96 178.93 19.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.197 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 55.4 tp -60.15 -51.78 77.94 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 19.4 Cg_endo -60.47 -27.74 85.41 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.016 1.811 . . . . 0.0 112.526 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.33 -42.78 71.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.703 0.287 . . . . 0.0 110.459 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 tp -56.14 -54.64 42.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.571 177.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 71' ' ' ALA . 97.2 t -60.27 -45.01 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.46 -47.04 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.66 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.92 74.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.622 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.92 -45.99 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.449 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 t -84.21 -22.82 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.137 0.494 . . . . 0.0 111.259 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.78 -21.52 62.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -52.27 122.1 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.274 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.62 -40.7 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.912 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -65.0 -47.56 77.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.393 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.86 80.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.361 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.16 -26.31 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.4 ' HD2' ' HD1' ' A' ' 137' ' ' PHE . 87.4 t80 -57.76 -52.14 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.152 -175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.678 ' HD2' ' HB ' ' A' ' 141' ' ' THR . 31.6 p90 -130.96 5.56 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.584 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.67 152.54 27.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.786 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 10.7 pt-20 -90.44 5.2 48.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.872 0.367 . . . . 0.0 110.598 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.51 -7.07 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.783 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' THR . . . . . 0.678 ' HB ' ' HD2' ' A' ' 137' ' ' PHE . 28.8 m -96.67 146.0 25.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.419 0.152 . . . . 0.0 110.911 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.563 HG22 ' SD ' ' A' ' 63' ' ' MET . 61.5 t -73.81 123.8 89.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.499 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--O 1.232 0.224 0 C-N-CA 122.611 2.207 . . . . 0.0 111.726 176.281 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 28' ' ' VAL . 39.0 m-85 . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -143.56 141.11 30.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.312 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.02 115.33 8.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -114.17 151.99 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.414 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.55 68.66 3.58 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.912 2.408 . . . . 0.0 112.402 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.53 36.47 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.749 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -89.08 136.73 32.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.603 -0.351 . . . . 0.0 110.215 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -73.14 163.04 28.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.94 76.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.97 -35.94 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.056 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -69.19 -43.95 73.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 179.011 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 38.5 ttmt -62.78 -39.98 95.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.224 177.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.45 -40.1 93.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.227 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.8 83.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.448 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 24' ' ' GLU . 61.7 t -67.71 -45.14 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG21 ' HG3' ' A' ' 53' ' ' GLU . 54.4 mt -69.93 -39.77 77.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.778 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -59.17 -41.91 89.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.39 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.12 86.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.773 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.34 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -54.62 -43.2 72.03 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 42.3 ttm180 -65.54 -39.71 92.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.402 -173.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -88.75 -13.93 38.35 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.644 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.56 HD11 HG22 ' A' ' 67' ' ' VAL . 66.3 mt -92.53 -58.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.724 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -125.1 26.81 6.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.48 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.7 pt-20 . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 123.779 0.832 . . . . 0.0 111.845 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -56.15 122.43 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.088 0.47 . . . . 0.0 111.844 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.15 -21.9 65.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.066 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 31.0 t -55.33 -28.87 56.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.332 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.69 -42.3 92.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 110.344 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 5.6 t -76.14 -24.15 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.812 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.23 -36.34 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.1 mt -61.13 -38.36 86.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.077 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HG3' HG21 ' A' ' 29' ' ' ILE . 10.7 tt0 -56.0 -45.6 78.99 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.397 174.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 m -62.87 -38.57 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -67.48 -45.0 77.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.144 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.11 -22.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 0.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.691 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 28.8 mtp180 -68.59 -42.39 78.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.693 173.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.31 -34.72 76.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.126 0.488 . . . . 0.0 110.795 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.14 35.64 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.78 -54.22 17.18 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 42.0 pt -104.6 139.97 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.007 172.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 139' ' ' GLU . 63.1 m -91.71 -177.95 4.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' HG22 ' A' ' 142' ' ' VAL . 19.6 mmt -65.65 -21.17 66.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.302 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 15.3 tptt -59.17 -47.27 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.051 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 2.3 mp0 -71.38 -47.31 56.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.9 -54.58 44.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 36' ' ' ILE . 70.6 t -60.38 -47.83 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 111.099 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 21.2 ttp180 -61.92 -39.3 91.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.745 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.4 -34.56 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.188 -0.32 . . . . 0.0 111.52 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.51 -36.81 76.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.425 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 9.7 mtmp? -91.91 8.4 37.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.271 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.2 m -74.66 144.28 80.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.74 -36.58 62.49 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.33 2.687 . . . . 0.0 113.116 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.63 -52.15 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -65.24 -42.3 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.278 0.561 . . . . 0.0 109.941 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.7 ttt180 -61.0 -47.57 85.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.206 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 85.2 tttt -72.74 -19.93 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.717 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -96.37 -49.1 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.12 -17.98 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 120' ' ' LEU . 92.7 t80 -117.58 -54.5 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.074 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . 6.3 tp10 -49.74 -53.8 38.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 88.1 Cg_endo -91.96 14.83 1.72 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.027 1.818 . . . . 0.0 113.117 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.18 161.22 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.509 HG13 ' HG3' ' A' ' 88' ' ' ARG . 13.9 pt -74.4 144.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.886 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -62.56 -23.52 67.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 p -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.741 0.305 . . . . 0.0 111.486 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.509 ' HG3' HG13 ' A' ' 85' ' ' ILE . 73.7 mtp180 -89.25 -42.37 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.446 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -62.15 -30.24 70.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 37.6 tp -55.95 -51.01 69.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -69.77 -33.26 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.513 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 89' ' ' ALA . 97.4 mt -60.1 -41.46 92.61 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.0 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.624 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 m-85 -59.07 -39.95 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -66.15 -35.81 81.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.724 0.297 . . . . 0.0 111.368 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 1.7 t-160 -87.08 -24.14 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.501 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 124' ' ' VAL . 80.5 mt -100.33 -46.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.594 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.31 -18.97 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -174.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.02 78.36 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.614 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 6.3 mtm180 -149.78 178.06 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.424 0.29 . . . . 0.0 110.268 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.83 159.24 14.5 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.999 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.5 ' HB2' HG22 ' A' ' 108' ' ' VAL . 2.2 Cg_endo -79.34 98.22 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.844 2.363 . . . . 0.0 111.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -83.42 -22.74 32.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 m -85.9 121.75 28.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.22 -33.67 72.58 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -58.87 -46.47 87.73 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.051 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.19 -36.15 83.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.92 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 102' ' ' PRO . 69.2 t -61.42 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.302 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.71 -36.9 75.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.156 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 83.6 m-85 -79.7 -20.92 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.31 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.05 -41.93 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.4 m -67.95 -39.77 83.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.296 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.04 -42.38 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.06 -21.31 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.746 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -80.0 -48.54 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.572 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -84.09 -45.44 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -66.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.97 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.65 -170.46 23.06 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.14 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 54.4 tp -66.53 -51.54 40.87 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.694 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.2 Cg_exo -55.11 -41.08 82.2 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.809 1.673 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.78 98.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 64.8 tp -61.12 -49.42 77.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.591 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -57.96 -49.73 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.95 -41.48 87.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.897 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.877 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.71 -43.24 99.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 111.392 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.413 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 31.7 t -76.81 -21.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -80.71 -39.36 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.855 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 65.4 p -56.42 132.67 51.82 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.59 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 14.1 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 16.0 mm-40 -56.25 -54.48 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -82.32 -22.95 35.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 110.635 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.741 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.66 -54.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.254 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.9 -43.74 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.625 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.579 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -58.86 -54.74 43.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -175.011 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.72 -22.62 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.949 0.404 . . . . 0.0 110.725 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.5 173.38 49.79 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.805 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 62' ' ' SER . 15.1 pt-20 -102.07 -25.11 13.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.855 0.36 . . . . 0.0 110.574 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -82.09 -32.51 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.8 m -82.67 137.05 34.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.994 -171.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 63' ' ' MET . 6.5 t -80.68 131.42 60.89 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 171.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo . . . . . 0 C--N 1.344 0.332 0 C-N-CA 122.737 2.291 . . . . 0.0 112.851 -179.001 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.483 0.658 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -112.81 134.63 54.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.01 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.569 ' HG2' HG22 ' A' ' 56' ' ' VAL . 51.6 tpp -73.76 98.4 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.152 0.501 . . . . 0.0 109.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -135.7 143.38 44.52 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.326 -178.074 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 37.2 Cg_exo -58.6 116.83 3.53 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.559 2.173 . . . . 0.0 110.888 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.82 -19.59 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.82 145.01 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -75.64 170.69 15.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.84 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.675 0.274 . . . . 0.0 111.096 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.54 -23.48 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.0 111.282 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.71 -45.38 52.58 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' ILE . 95.6 mttt -62.85 -36.98 85.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.86 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 1.9 t30 -54.18 -43.56 70.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.754 173.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.08 92.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.738 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.09 -45.38 90.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.518 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 25' ' ' LYS . 46.1 mm -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.874 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.73 -34.3 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.467 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.85 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.41 -41.82 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.738 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 35.4 ttm180 -70.71 -20.09 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.641 -176.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 14.6 mm-40 -93.39 -44.61 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.39 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.19 -57.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -84.19 -16.57 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.029 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 17.6 tt0 . . . . . 0 CA--C 1.532 0.266 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.236 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 121.149 0.499 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.774 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 14.4 m -59.47 97.74 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.091 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HG3' ' H ' ' A' ' 48' ' ' SER . 8.0 pt20 -101.9 -78.28 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 168.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.828 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 3.9 m -64.15 -27.98 69.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 170.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.774 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 60.8 mt -61.54 -39.67 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.881 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -36.34 70.95 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.726 0.298 . . . . 0.0 110.499 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 84.1 t80 -60.89 -50.2 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.827 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 48' ' ' SER . 64.0 mt -59.34 -42.97 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.376 176.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -52.61 -48.42 66.33 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.983 177.293 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -77.19 -29.9 54.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.82 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.6 mm100 -64.73 -49.56 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 110.591 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 16' ' ' MET . 8.4 p -70.2 -29.74 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 30.6 ttt180 -58.71 -39.9 82.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.646 177.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -82.7 -24.92 33.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.65 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.05 28.54 6.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.894 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.75 -45.39 58.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 pt -115.4 165.3 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.3 p -84.42 163.7 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.097 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.8 tpt -66.84 -33.35 75.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.633 ' HE3' ' HA ' ' A' ' 129' ' ' ASP . 72.0 tttt -55.34 -54.27 45.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.687 175.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 31.3 mm-40 -64.53 -37.62 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.754 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 70' ' ' LEU . 38.2 t80 -56.93 -47.78 79.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.788 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 63' ' ' MET . 83.6 t -59.32 -42.83 88.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 70.8 mtp180 -59.04 -38.76 80.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 27.7 mmt180 -71.02 -42.48 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.687 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 66' ' ' PHE . 81.6 mt -63.64 -45.07 91.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.03 -177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' HG11 ' A' ' 124' ' ' VAL . . . -73.33 -24.49 60.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -84.24 -10.12 57.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 110.683 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.8 m -61.89 139.84 95.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.629 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 8.7 Cg_endo -49.83 -33.42 32.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.89 3.06 . . . . 0.0 113.87 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.05 -51.61 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.647 0.261 . . . . 0.0 110.722 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -71.4 -31.55 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.569 . . . . 0.0 109.626 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 74' ' ' PRO . 47.9 tpt85 -63.6 -30.9 71.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.421 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.49 -43.39 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.715 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.83 166.19 19.93 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.653 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 98.7 m-85 67.78 -64.93 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.058 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -68.47 -26.73 65.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.522 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.9 tm-20 -98.01 -57.4 0.17 Allowed Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.698 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 7.6 Cg_exo -74.53 -21.94 16.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.378 2.052 . . . . 0.0 113.931 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.653 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 98.8 m-85 -112.35 -179.48 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.988 0.423 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 tt -96.31 152.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.671 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -47.09 -57.47 5.04 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.509 0.723 . . . . 0.0 112.512 -172.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -59.14 -35.83 74.18 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 28.5 mmm180 -75.75 -41.27 53.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.19 94.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.957 0.408 . . . . 0.0 110.044 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.493 HD12 HD21 ' A' ' 123' ' ' LEU . 40.4 tp -56.38 -51.58 67.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.761 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HG3' ' HD2' ' A' ' 102' ' ' PRO . 41.6 tt0 -65.21 -41.91 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.282 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 90.9 mt -67.8 -32.3 72.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.85 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.837 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -57.58 -41.65 81.53 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.81 -33.39 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.548 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.8 -22.27 34.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 124' ' ' VAL . 83.8 mt -100.92 -57.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.027 0.441 . . . . 0.0 111.516 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 127' ' ' LEU . 49.0 mt -100.38 -33.89 10.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 -176.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.48 -8.54 67.98 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -87.93 -55.48 3.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.015 0.436 . . . . 0.0 110.908 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.46 167.86 32.62 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.65 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 108' ' ' VAL . 37.2 Cg_endo -67.07 119.36 6.38 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.437 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -96.25 -51.94 4.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 15.3 m -94.5 148.91 21.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 32.0 tpt180 -69.37 -40.68 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.594 0.235 . . . . 0.0 111.041 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.6 pm0 -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.147 0.499 . . . . 0.0 110.012 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 34.5 tt0 -61.54 -45.58 93.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.7 t -56.39 -48.48 79.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.024 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ARG . 27.6 mm-40 -56.2 -45.77 79.7 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.254 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 114' ' ' ILE . 60.4 tttm -55.72 -53.83 51.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.202 -178.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 107' ' ' GLU . 93.8 m-85 -79.34 -23.2 43.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.269 -175.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 35.2 t80 -64.34 -42.09 96.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 t -63.81 -37.88 89.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 111' ' ' TYR . 84.5 mt -62.35 -50.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.089 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.492 ' HB ' HD22 ' A' ' 123' ' ' LEU . 14.3 p -73.06 -26.71 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.8 m -77.17 -29.64 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.219 -0.301 . . . . 0.0 111.611 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 p -97.68 -56.51 2.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.762 0.315 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.89 -17.84 69.15 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.552 -176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.11 -172.44 38.32 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 53.4 tp -63.53 -50.13 74.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -55.37 -35.53 91.91 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.159 1.906 . . . . 0.0 113.053 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.62 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.533 0.206 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -58.06 -52.94 63.46 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 97' ' ' ILE . 88.3 t -59.36 -47.75 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.051 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.35 -40.08 95.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 130' ' ' SER . . . -60.27 -35.16 74.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.143 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.661 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 97' ' ' ILE . 40.0 t -76.67 -35.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.633 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 38.4 t70 -85.39 -13.5 49.2 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.179 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 126' ' ' ALA . 1.1 t -62.59 120.84 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -66.52 -28.62 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -167.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.95 -37.9 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.824 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.538 ' HD2' ' HB3' ' A' ' 130' ' ' SER . 30.9 m-85 -71.3 -43.21 67.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.202 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.2 -35.97 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -73.37 -55.16 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.735 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -81.58 -33.41 31.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.0 131.66 5.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.419 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.88 -11.79 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.522 0.677 . . . . 0.0 110.097 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.75 -21.14 12.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 4.1 m -97.14 148.9 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.685 -171.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.56 132.64 95.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 167.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo . . . . . 0 C--N 1.358 1.044 0 C-N-CA 124.805 3.67 . . . . 0.0 114.465 -174.754 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 99.1 m-85 . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.293 0.568 . . . . 0.0 111.435 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -119.87 116.11 25.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 20' ' ' LEU . 41.1 ttm -81.2 86.26 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.522 0.677 . . . . 0.0 110.107 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -88.38 154.1 51.21 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.168 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.38 93.46 0.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.47 2.113 . . . . 0.0 111.015 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.5 33.87 0.12 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.03 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 16' ' ' MET . 66.1 mt -118.15 140.44 49.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.0 m -73.56 170.04 16.01 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.76 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.634 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.22 -42.22 85.8 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.131 0.491 . . . . 0.0 110.764 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.1 mm-40 -65.41 -43.79 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.299 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.8 mttp -62.02 -45.32 94.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HA ' HD12 ' A' ' 29' ' ' ILE . 91.4 m-20 -53.13 -42.3 65.9 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.241 0.338 . . . . 0.0 111.298 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.46 99.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.894 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 14' ' ' TYR . 45.7 t -67.23 -39.44 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.867 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 25' ' ' LYS . 68.7 mt -61.79 -42.4 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.26 0.553 . . . . 0.0 110.476 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -64.45 -32.8 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.508 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . -69.63 -30.88 68.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.905 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -46.5 83.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -63.2 -33.24 75.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.284 0.564 . . . . 0.0 110.302 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 7.9 tpm_? -63.33 -33.28 75.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.7 tp60 -105.3 -44.4 4.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mm -71.8 -35.68 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.597 -174.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 70' ' ' LEU . 63.6 m-85 -108.03 -29.14 9.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.954 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.683 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' HB3' HD12 ' A' ' 49' ' ' ILE . 6.5 m-85 . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.49 0.186 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 63.7 m 81.57 101.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 166.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 54.17 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 163.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.0 m -52.54 -40.48 62.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.184 -172.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 45' ' ' TYR . 36.0 mt -65.79 -34.74 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.976 0.417 . . . . 0.0 110.824 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -77.3 -34.09 55.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.898 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -61.79 -45.0 95.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.845 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.2 mt -62.26 -38.93 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.627 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.53 -50.35 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.177 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.561 ' HA ' ' CG ' ' A' ' 57' ' ' ARG . 13.1 t -65.03 -38.38 90.7 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.66 -42.88 99.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 111.512 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.14 -25.72 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.153 -176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.561 ' O ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 ppt_? -74.79 -21.93 59.04 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.004 -0.435 . . . . 0.0 111.268 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.2 -14.86 25.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.159 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.31 17.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.861 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.08 -40.82 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -114.39 153.34 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.279 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.1 p -83.35 173.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.84 -35.29 80.14 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.516 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -68.67 -28.86 67.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.166 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.767 ' HB3' HH21 ' A' ' 69' ' ' ARG . 45.4 mt-10 -77.54 -37.13 51.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.939 0.4 . . . . 0.0 110.13 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.579 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 18.7 t80 -64.02 -50.06 69.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.67 -47.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 176.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -57.79 -44.11 86.05 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.503 0.668 . . . . 0.0 110.484 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.767 HH21 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -69.38 -38.8 78.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 83.2 mt -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.97 -27.47 65.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.043 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 121' ' ' PRO . 47.1 mttp -81.79 6.72 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.0 p -77.99 149.37 76.71 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-O 120.847 0.356 . . . . 0.0 110.743 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 17.1 Cg_endo -59.19 -30.3 92.71 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.511 2.141 . . . . 0.0 111.295 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 1.9 mm? -63.8 -51.93 62.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.113 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -63.49 -46.98 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.28 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 14.0 ptt180 -70.55 -25.37 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.224 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.0 tmtt? -70.98 -43.61 67.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.007 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 76.3 mm-40 -75.08 -14.81 60.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.48 -46.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 120' ' ' LEU . 53.6 t80 -78.71 -14.55 59.23 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.48 -172.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.7 tt0 -93.15 -59.32 0.21 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 84.1 Cg_endo -80.53 3.01 8.07 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.999 1.799 . . . . 0.0 112.98 -174.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 88' ' ' ARG . 81.1 m-85 -131.34 156.11 46.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.6 HG13 ' H ' ' A' ' 88' ' ' ARG . 33.0 pt -75.23 159.32 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -55.74 -31.03 62.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -69.88 -41.46 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.03 0.443 . . . . 0.0 110.624 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.6 ' H ' HG13 ' A' ' 85' ' ' ILE . 11.1 tpp180 -73.74 -38.96 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.05 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.692 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 108' ' ' VAL . 22.4 tp -64.76 -46.27 82.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.906 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.03 -50.46 66.62 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.807 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.4 mt -63.2 -38.58 91.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.99 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.35 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 24.2 m-85 -59.96 -40.75 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.504 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 28.1 ttm-85 -83.25 -14.94 52.14 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.633 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -96.83 -39.52 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.187 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.53 -34.82 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 0.0 110.775 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.86 -40.49 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 88.22 -22.91 16.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.968 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 100' ' ' ARG . 19.4 ttt180 -66.1 -44.18 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.857 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.63 157.27 30.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.034 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' HG22 ' A' ' 108' ' ' VAL . 51.5 Cg_exo -55.16 125.05 17.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.385 2.724 . . . . 0.0 112.398 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -123.68 -26.24 4.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.918 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.0 m -129.28 148.21 51.19 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -60.3 -56.48 20.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.991 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.5 -38.49 71.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 111' ' ' TYR . 24.5 tt0 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.83 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 90' ' ' LEU . 93.3 t -56.9 -47.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.917 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -62.25 -36.63 82.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.385 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -60.6 -52.7 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' HD2' ' O ' ' A' ' 107' ' ' GLU . 96.7 m-85 -76.67 -22.57 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.24 -176.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.19 -37.88 88.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.895 0.379 . . . . 0.0 110.017 174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -42.31 94.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.887 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.64 -47.3 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.59 -20.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.743 0.306 . . . . 0.0 111.143 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 m -85.24 -53.14 5.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 111.194 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.7 t -74.8 -46.76 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.01 -175.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.57 -57.13 1.78 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.834 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.62 179.88 17.05 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.911 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.573 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 44.4 tp -64.4 -46.93 78.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.22 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.8 Cg_endo -54.68 -36.16 89.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.172 1.915 . . . . 0.0 112.264 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.4 -34.69 65.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.8 -42.91 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.79 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.87 -46.31 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.53 176.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.17 -47.61 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.624 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.89 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.962 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.27 -48.64 16.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.71 -20.54 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.984 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.38 -4.62 49.14 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.0 t -80.7 111.98 17.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.49 -26.66 68.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -55.91 -46.96 78.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.574 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.46 -30.74 37.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.55 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.05 95.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.73 -30.83 63.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.398 0.618 . . . . 0.0 110.255 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -64.08 -50.49 68.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.014 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.27 -41.47 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.824 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.27 172.77 17.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.877 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.22 -19.35 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.717 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -102.45 -35.54 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.25 -177.277 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 5.3 m -81.88 141.17 33.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.28 127.99 88.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 C--N 1.357 0.982 0 C-N-CA 124.291 3.328 . . . . 0.0 113.373 -175.861 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.666 0.269 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.7 26.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mmt -89.37 110.55 21.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.224 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -122.4 134.89 25.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.728 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.32 117.77 4.64 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.091 1.86 . . . . 0.0 110.366 171.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.18 -10.48 9.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.4 142.7 30.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -78.27 172.18 13.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.69 72.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.236 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.72 -47.14 76.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 mp0 -59.7 -47.51 85.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.517 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 29' ' ' ILE . 95.1 mttt -63.11 -40.74 98.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.02 -43.59 82.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.651 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.87 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.855 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 24' ' ' GLU . 97.2 t -65.18 -41.05 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 25' ' ' LYS . 80.5 mt -63.21 -47.27 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.77 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -62.45 -38.88 91.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.617 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.75 99.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.409 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.41 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.28 -41.47 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.961 0.41 . . . . 0.0 111.209 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -74.7 -19.44 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.785 -177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -100.06 -18.35 17.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -89.33 -51.38 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -93.04 -34.24 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 177.211 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CG ' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -173.64 -81.98 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 pm0 -65.53 -29.79 70.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -167.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 m -67.89 -32.19 72.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.581 . . . . 0.0 110.284 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 45' ' ' TYR . 16.8 mt -69.06 -50.32 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.966 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 m -56.79 -36.86 70.35 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.079 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.61 -57.69 10.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.66 -36.9 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -54.49 -53.75 50.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -63.21 -34.34 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.53 -50.04 68.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.079 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -74.82 -29.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 0.0 110.756 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.32 -38.12 82.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 178.626 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -91.04 -0.61 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.446 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.5 28.83 62.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.323 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.06 -29.06 57.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 28.8 pt -131.78 147.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.554 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.592 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 19.9 m -72.67 164.99 25.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 176.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 67' ' ' VAL . 95.5 mmm -64.69 -36.09 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.86 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' OE1' ' A' ' 65' ' ' GLU . 13.8 ptmm? -62.86 -32.29 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 5.1 mm-40 -75.62 -41.19 54.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.61 -44.74 93.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.501 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 63' ' ' MET . 94.1 t -62.81 -43.59 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HB2' HG11 ' A' ' 128' ' ' VAL . 45.1 ttp180 -62.67 -35.43 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 69' ' ' ARG . 2.1 mmp_? -63.97 -52.21 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.028 175.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.38 -47.1 86.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.93 -21.94 64.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.391 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.668 ' HE3' ' HB3' ' A' ' 125' ' ' ASP . 63.3 mttt -93.55 -4.13 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.586 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.6 m -74.25 142.24 78.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.18 -27.87 18.44 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.457 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.58 -48.81 73.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.76 0.314 . . . . 0.0 111.127 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.16 -37.18 66.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 109.909 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.83 -24.51 66.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.222 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -70.74 -25.51 62.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.064 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -102.1 169.3 8.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.977 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 65.5 m-85 69.39 -49.13 0.61 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -79.89 -36.71 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.585 ' H ' ' HD2' ' A' ' 83' ' ' PRO . 34.8 tt0 -99.31 -54.41 0.18 Allowed Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.585 ' HD2' ' H ' ' A' ' 82' ' ' GLU . 18.3 Cg_endo -61.8 -36.02 75.84 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.793 1.662 . . . . 0.0 111.923 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 85.3 m-85 -108.53 171.66 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.515 HG13 ' H ' ' A' ' 88' ' ' ARG . 37.6 pt -89.6 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 26.2 p30 -62.91 -21.45 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.591 0.234 . . . . 0.0 111.534 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -68.03 -30.48 69.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.146 0.498 . . . . 0.0 109.889 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' H ' HG13 ' A' ' 85' ' ' ILE . 10.2 tpt180 -86.81 -36.83 18.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.795 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -59.38 -33.8 71.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.853 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -59.8 -47.58 85.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.074 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.43 -48.77 79.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.57 -44.37 93.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.185 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.86 76.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.724 0.297 . . . . 0.0 111.122 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 9.9 m-85 -64.01 -34.91 79.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.878 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.55 -29.57 27.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.177 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.05 -44.41 11.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.148 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.0 mt -83.16 -54.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.978 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -80.66 -19.26 45.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.827 -176.378 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 15.02 81.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.647 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -132.22 -78.72 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.957 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.516 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 136.49 172.03 12.45 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.43 118.24 5.29 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.536 2.157 . . . . 0.0 111.761 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.0 p -92.21 -54.33 3.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.027 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.9 m -100.97 151.75 21.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 -176.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -63.52 -36.39 83.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 106' ' ' GLU . 25.4 mp0 -59.24 -44.48 92.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.591 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.85 -40.75 94.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.35 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' SER . 76.2 t -59.78 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.804 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.94 -29.24 69.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.766 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.05 -58.35 8.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.461 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 79.4 m-85 -77.8 -24.74 48.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.623 -175.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.79 -36.34 84.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.185 0.517 . . . . 0.0 109.728 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -65.41 -38.87 91.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.756 176.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 111' ' ' TYR . 63.5 mt -61.3 -50.02 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.103 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 120' ' ' LEU . 11.4 p -68.19 -22.75 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.025 0.441 . . . . 0.0 111.109 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.3 t -79.29 -24.98 42.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.139 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.4 m -93.05 -60.63 1.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.576 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.06 6.52 59.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.643 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 115' ' ' VAL . . . 81.15 -166.36 48.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.465 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 52.3 tp -61.77 -49.23 87.08 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 11.3 Cg_endo -54.66 -35.19 86.33 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.382 2.055 . . . . 0.0 113.315 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.448 ' HA ' ' OD2' ' A' ' 125' ' ' ASP . . . -63.99 -35.31 80.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.984 0.421 . . . . 0.0 111.124 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 69.7 tp -67.25 -38.41 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.451 0.643 . . . . 0.0 109.959 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.0 t -62.87 -52.11 63.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.2 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.668 ' HB3' ' HE3' ' A' ' 72' ' ' LYS . 2.5 p30 -69.32 -25.12 64.06 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.861 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.44 97.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.405 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 133' ' ' TYR . 96.7 mt -76.19 -48.1 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.383 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' A' ' 68' ' ' ARG . 89.5 t -72.4 -29.33 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -78.11 -25.58 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.982 -0.449 . . . . 0.0 111.516 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 t -60.27 125.91 25.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.489 . . . . 0.0 110.681 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -21.25 63.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.12 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.316 0.579 . . . . 0.0 110.0 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 11.4 m-85 -79.48 -25.39 41.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.459 -177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.86 88.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.69 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.25 -33.36 59.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.113 0.483 . . . . 0.0 110.646 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.47 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 55.3 t80 -61.54 -43.38 98.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.478 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.462 ' HZ ' ' HA ' ' A' ' 98' ' ' LEU . 68.7 m-85 -94.27 -41.25 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.282 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.24 131.39 7.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 33.0 mt-10 -67.28 -23.73 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -86.58 -25.89 24.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.297 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.1 m -91.16 144.18 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -171.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.0 122.17 84.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.402 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo . . . . . 0 C--N 1.346 0.402 0 C-N-CA 122.653 2.235 . . . . 0.0 112.18 179.762 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.48 0.709 0 N-CA-C 110.917 -0.455 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -94.55 60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.428 0.632 . . . . 0.0 110.282 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -149.84 23.47 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.356 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 t80 58.91 78.39 0.26 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.507 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -156.98 146.04 20.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.819 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.51 167.58 6.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.75 70.01 7.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.142 0.496 . . . . 0.0 111.136 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.53 -25.03 29.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.411 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.67 90.93 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.32 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -105.76 -28.33 10.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.977 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 12.5 tpt180 -84.14 97.85 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -100.69 145.11 28.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.756 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -111.04 119.93 40.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.106 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -81.08 136.02 35.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.879 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HD11 ' A' ' 20' ' ' LEU . . . -148.44 135.33 20.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.4 mmt -80.02 92.5 5.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 109.778 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -135.24 154.54 78.84 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.616 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 110.55 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.851 2.367 . . . . 0.0 112.565 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.87 41.53 0.34 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.356 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 15' ' ' ALA . 90.9 mt -120.39 128.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.544 0.211 . . . . 0.0 110.587 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.8 m -81.49 172.11 13.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.001 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.86 79.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.315 . . . . 0.0 111.679 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.75 -37.18 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.872 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.4 mm-40 -67.03 -49.15 66.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.018 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.14 -35.63 79.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.96 -45.34 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.527 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.05 88.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.062 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 85.4 t -59.14 -49.29 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.85 -47.94 88.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.04 -36.49 83.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.735 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.25 87.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.588 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 74.2 m-85 -62.53 -41.71 99.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.743 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 24.9 mmm-85 -66.46 -18.97 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.847 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.755 ' HG2' ' HA ' ' A' ' 144' ' ' TYR . 4.4 tp-100 -94.04 -44.92 7.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.839 0.352 . . . . 0.0 111.075 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.485 HD11 HG13 ' A' ' 67' ' ' VAL . 46.3 mt -77.28 -40.66 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -176.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -96.13 -2.03 47.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.6 pt-20 45.75 25.76 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.682 1.193 . . . . 0.0 113.262 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -154.85 170.64 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' OD1' ' HD3' ' A' ' 34' ' ' ARG . 7.4 t70 -96.4 98.9 10.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.006 0.432 . . . . 0.0 110.728 -175.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 33' ' ' TYR . 28.8 pt -87.76 140.27 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.491 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 t -167.92 173.06 8.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.508 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 56.03 -86.96 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.001 0.92 . . . . 0.0 112.69 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.42 73.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.269 0.556 . . . . 0.0 110.11 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -91.17 96.88 10.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.449 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 p -161.23 -156.36 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.996 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 67.73 -81.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 110.868 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 m -64.83 -35.41 81.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.038 0.447 . . . . 0.0 109.835 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 65.0 mt -64.29 -41.91 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.39 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 4.8 m -66.78 -35.92 81.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.386 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.45 -43.29 70.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.771 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 48' ' ' SER . 96.4 mt -64.9 -34.26 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.231 176.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' SER . 34.1 tt0 -55.74 -55.7 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.331 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -64.79 -37.25 86.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.368 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.9 -47.08 86.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 111.458 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.48 -25.28 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.898 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.673 0.273 . . . . 0.0 110.791 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.97 -22.29 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.29 24.24 57.35 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -171.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.06 -44.59 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.262 0.553 . . . . 0.0 109.973 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -109.33 152.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -73.23 150.62 41.9 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.2 tpt -63.83 -18.52 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.422 0.63 . . . . 0.0 110.239 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 150' ' ' HIS . 53.4 tttp -70.12 -43.83 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.823 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 31.3 tt0 -69.77 -36.31 75.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.018 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 89.4 t80 -53.98 -48.12 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.991 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG21 ' HE1' ' A' ' 150' ' ' HIS . 53.5 t -65.95 -47.8 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.118 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.769 ' HG2' ' HA ' ' A' ' 65' ' ' GLU . 21.7 ptt180 -64.94 -29.96 70.93 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.964 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HE ' ' HG2' ' A' ' 65' ' ' GLU . 61.6 mtt180 -64.6 -48.39 75.11 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.5 mt -61.69 -45.77 92.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.392 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.67 63.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.935 0.398 . . . . 0.0 111.525 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -97.87 3.86 49.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.096 0.474 . . . . 0.0 110.611 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.4 m -75.63 149.23 83.42 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -55.01 -26.66 50.69 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.234 2.622 . . . . 0.0 112.705 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.39 -57.62 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 0.0 110.479 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.22 -36.91 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 109.742 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.571 ' HA ' HD23 ' A' ' 120' ' ' LEU . 58.8 ttt180 -61.9 -31.84 72.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.235 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.57 -52.26 4.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.245 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.94 -29.42 68.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.74 16.36 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -141.48 -35.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.527 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 10.3 tp10 -55.3 -52.57 70.38 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 19.5 Cg_endo -93.44 20.31 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.333 2.022 . . . . 0.0 111.903 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.75 -173.39 3.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.942 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 pt -127.73 179.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.933 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -57.41 -47.03 82.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.169 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.1 p -65.45 -32.66 74.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -79.04 -37.65 38.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.348 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 120' ' ' LEU . . . -63.57 -33.82 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 175.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.98 -51.72 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.74 -44.65 96.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.39 -43.27 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.78 67.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 10.5 m-85 -54.6 -45.08 73.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 95' ' ' ARG . 42.7 ttm180 -63.97 -32.09 73.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.72 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -86.54 -41.27 14.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.412 HD12 HD12 ' A' ' 127' ' ' LEU . 77.8 mt -84.69 -52.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.82 0.343 . . . . 0.0 111.877 -174.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 127' ' ' LEU . 77.8 mt -95.72 -24.86 16.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.887 0.375 . . . . 0.0 111.332 -174.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.87 86.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.846 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 44.6 ttp180 -131.07 138.36 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.65 161.67 40.68 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.327 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.653 ' HB2' HG22 ' A' ' 108' ' ' VAL . 9.2 Cg_endo -54.12 115.35 2.3 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.617 2.211 . . . . 0.0 111.179 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -101.95 -44.51 5.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.407 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 108' ' ' VAL . 11.8 m -94.59 144.44 25.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.029 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -58.63 -44.82 90.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -57.02 -46.71 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.628 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 104' ' ' SER . 66.5 tt0 -57.04 -52.84 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.291 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' A' ' 102' ' ' PRO . 85.3 t -51.3 -59.99 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.047 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.84 -25.86 64.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -66.82 -55.9 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -77.56 -22.91 50.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 115' ' ' VAL . 81.2 t80 -62.38 -36.68 83.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.3 m -64.89 -36.7 85.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.482 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.94 -45.98 79.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 112' ' ' PHE . 8.0 p -72.87 -17.94 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 111.501 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 m -85.22 -39.45 17.77 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.218 -0.301 . . . . 0.0 111.193 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.0 p -89.06 -64.28 1.17 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.707 0.289 . . . . 0.0 111.643 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.83 -25.61 62.15 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.984 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.77 23.79 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.745 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 77' ' ' ARG . 46.1 tp -63.89 -47.96 79.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.718 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -53.53 -38.07 83.19 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.25 74.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.33 -39.4 94.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.744 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 120' ' ' LEU . 91.8 t -58.45 -52.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.87 -38.76 86.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.944 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.67 95.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.733 0.301 . . . . 0.0 111.457 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 98' ' ' LEU . 95.7 mt -77.45 -50.06 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.398 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' ARG . 92.8 t -66.28 -46.81 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.708 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.98 5.04 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 111.374 -174.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.6 t -57.35 119.04 5.77 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.924 0.393 . . . . 0.0 110.211 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -62.99 -28.05 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.692 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.44 -57.87 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.165 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 137' ' ' PHE . 1.6 m-85 -68.52 -22.27 64.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.384 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.688 ' HB1' ' H ' ' A' ' 152' ' ' HIS . . . -78.49 -61.66 1.93 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.078 0.466 . . . . 0.0 111.624 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -68.2 -32.51 72.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -90.4 -21.86 21.74 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.751 ' HB3' ' HB3' ' A' ' 148' ' ' LEU . 54.2 m-85 -100.64 -27.4 13.41 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.718 ' O ' ' HA ' ' A' ' 150' ' ' HIS . . . 102.26 146.65 18.25 Favored Glycine 0 C--O 1.222 -0.65 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.837 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.776 ' HA ' ' H ' ' A' ' 151' ' ' HIS . 0.8 OUTLIER -85.27 -16.74 39.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -172.135 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.08 -35.57 21.75 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.563 HG21 HD13 ' A' ' 148' ' ' LEU . 2.7 m -62.73 128.86 37.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 143' ' ' PRO . 60.0 t -75.03 135.9 73.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.534 ' HD3' ' CE1' ' A' ' 150' ' ' HIS . 72.8 Cg_endo -77.93 83.31 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.385 2.056 . . . . 0.0 112.662 -176.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.755 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 39.9 p90 -88.48 163.99 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.29 124.58 19.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 146' ' ' ARG . 7.5 tpt180 68.06 30.7 5.8 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.834 0.826 . . . . 0.0 109.735 -175.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.98 -136.24 8.63 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.889 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.751 ' HB3' ' HB3' ' A' ' 137' ' ' PHE . 5.5 mp -138.4 148.49 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 111.037 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 150' ' ' HIS . 6.5 tp10 -91.17 174.1 7.58 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.718 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 11.3 m80 -100.17 153.35 19.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.315 0.578 . . . . 0.0 111.897 -170.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.776 ' H ' ' HA ' ' A' ' 139' ' ' GLU . 11.2 t-160 -81.07 124.56 29.3 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.815 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.688 ' H ' ' HB1' ' A' ' 134' ' ' ALA . 20.4 t-80 -99.54 149.09 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.565 ' HB2' ' O ' ' A' ' 152' ' ' HIS . 1.7 m-70 71.97 173.65 0.3 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.679 0.612 . . . . 0.0 109.838 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -122.87 -48.73 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 168.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 . . . . . 0 C--O 1.244 0.77 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.36 167.763 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.474 0.355 0 N-CA-C 110.267 -0.705 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -89.19 116.66 27.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -76.73 46.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 62.32 -85.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.143 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.4 t80 69.81 -58.04 0.54 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.221 0.609 . . . . 0.0 111.548 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -118.8 116.11 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.986 0.422 . . . . 0.0 110.169 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.06 99.23 10.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.56 -169.63 3.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.909 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.34 -166.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -71.16 -43.06 68.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.56 0.695 . . . . 0.0 109.346 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -102.05 108.58 20.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.058 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -55.87 126.87 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.228 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.736 ' HB3' HG23 ' A' ' 141' ' ' THR . 94.3 mttt -75.73 149.58 38.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.651 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' HB2' ' HB ' ' A' ' 142' ' ' VAL . 90.9 m-85 -85.29 82.22 8.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -111.2 133.52 53.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.837 -173.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 28' ' ' VAL . 34.7 mtp -88.32 70.2 9.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.292 0.568 . . . . 0.0 109.734 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -102.47 148.72 35.88 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.422 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 135.13 67.52 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.948 2.432 . . . . 0.0 112.142 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.1 41.25 2.47 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.256 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -131.24 175.93 8.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.516 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 21.6 t -106.72 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.96 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.55 87.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.189 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -40.45 94.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 21' ' ' SER . 21.2 mm-40 -60.17 -47.06 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.467 . . . . 0.0 110.216 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' ILE . 96.5 mttt -67.59 -36.4 80.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -61.84 -38.5 88.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.041 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.85 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.221 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 16' ' ' MET . 79.0 t -61.17 -44.02 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.857 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 25' ' ' LYS . 48.0 mm -59.22 -46.83 91.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.81 -42.8 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.71 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.776 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.876 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -58.87 -41.12 86.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.324 . . . . 0.0 111.482 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.3 ttp180 -62.72 -34.05 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.649 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.749 ' HA ' ' HA2' ' A' ' 147' ' ' GLY . 21.6 mt-30 -104.59 -17.88 14.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.8 mm -80.93 -40.56 18.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.25 -29.76 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.538 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 56.44 35.49 26.03 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.493 0.663 . . . . 0.0 110.222 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -175.85 154.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.432 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.35 144.66 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 pt -92.04 171.05 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.763 0.316 . . . . 0.0 110.817 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.54 ' HB ' ' CE2' ' A' ' 45' ' ' TYR . 5.3 m -86.03 139.71 30.92 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.424 -173.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG3' HG22 ' A' ' 42' ' ' THR . 63.3 mttm 51.4 -125.43 2.33 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.81 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.57 59.37 1.54 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 42' ' ' THR . 22.8 m-85 -65.3 97.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 32.9 p -156.38 19.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -65.05 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.04 0.448 . . . . 0.0 110.557 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 5.0 m -70.16 -20.14 63.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 57.5 mt -68.98 -49.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 46' ' ' SER . 49.3 m -71.75 -26.74 62.58 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 79.7 t80 -58.33 -52.32 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 48' ' ' SER . 90.3 mt -64.25 -33.25 75.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.012 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -59.24 -50.71 72.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.315 177.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 p -64.14 -28.36 69.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.7 0.286 . . . . 0.0 110.862 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.9 mm100 -64.45 -52.39 58.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 16' ' ' MET . 14.1 p -71.74 -33.4 48.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.901 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 57' ' ' ARG . 12.5 ttm180 -61.49 -45.92 92.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.558 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -75.34 -9.91 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 26.86 35.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.59 -41.61 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.156 0.503 . . . . 0.0 109.751 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.7 pt -123.96 148.72 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.725 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 p -87.4 163.41 16.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 67' ' ' VAL . 17.9 mmt -60.54 -31.44 70.54 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.27 -47.38 65.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.219 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -80.78 -31.33 35.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.371 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.03 -49.7 76.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.106 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 63' ' ' MET . 90.2 t -60.81 -46.84 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.449 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -55.97 -47.49 77.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.473 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.84 -38.59 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.742 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.51 -19.7 61.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.459 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.57 -0.3 32.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.4 p -71.07 144.61 90.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.48 -32.22 93.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.85 -48.27 79.75 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.962 0.41 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -63.54 -44.64 93.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.63 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 120' ' ' LEU . 71.5 ttt180 -58.47 -33.93 70.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.71 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -80.27 -56.37 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.47 -12.94 60.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.3 t80 -103.02 -17.83 15.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.591 0.234 . . . . 0.0 111.501 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD22 ' A' ' 120' ' ' LEU . 72.2 t80 -120.51 -37.17 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 42.9 tt0 -69.06 -52.47 15.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 71.8 Cg_endo -77.76 11.23 2.3 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.894 1.729 . . . . 0.0 112.752 -178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.12 160.1 31.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 88' ' ' ARG . 25.7 pt -84.42 153.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -52.7 -43.65 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.527 0.517 . . . . 0.0 111.777 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 13.4 p -66.67 -40.15 88.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.574 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' H ' HG13 ' A' ' 85' ' ' ILE . 22.3 ttm180 -77.72 -29.07 51.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 110.632 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.12 81.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 87' ' ' SER . 40.9 mt-10 -59.52 -45.39 91.88 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.773 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -64.65 -43.48 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.138 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.41 78.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -55.21 -48.67 73.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.257 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' HD3' ' A' ' 146' ' ' ARG . 49.8 ttm-85 -80.87 -19.76 43.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.855 -171.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -89.75 -38.99 13.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.703 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.512 HD12 HD12 ' A' ' 127' ' ' LEU . 73.1 mt -88.09 -54.35 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.481 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.13 -27.69 15.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.278 -176.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.65 67.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.187 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' A' ' 103' ' ' SER . 33.8 mtp85 -97.38 -171.69 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.046 0.45 . . . . 0.0 111.311 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.96 173.36 24.13 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HB3' HG22 ' A' ' 108' ' ' VAL . 70.1 Cg_exo -52.3 108.03 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.076 2.517 . . . . 0.0 112.585 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.478 ' HB2' HH21 ' A' ' 100' ' ' ARG . 29.7 t -78.45 -42.95 28.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.6 p -144.59 160.54 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -58.97 -33.58 70.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.663 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.86 -40.73 72.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.8 -46.62 89.82 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' SER . 93.9 t -55.93 -57.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.996 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.57 -27.59 68.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.974 -175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.76 -53.74 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.111 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.3 m-85 -79.82 -25.4 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.195 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.38 -40.04 92.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.095 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.7 m -65.59 -37.41 86.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.067 0.461 . . . . 0.0 110.259 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 111' ' ' TYR . 68.8 mt -64.18 -51.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.29 -27.4 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 111.117 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 m -81.41 -14.12 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.186 -0.321 . . . . 0.0 111.262 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -97.83 -45.22 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.13 -1.87 29.9 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.341 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.57 -171.27 49.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.25 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 38.2 tp -61.16 -48.84 90.77 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -53.96 -32.69 69.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.365 2.043 . . . . 0.0 112.999 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.57 59.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.868 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.28 -43.81 93.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.79 -43.83 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.898 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.38 -51.31 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.058 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.51 68.15 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.607 0.567 . . . . 0.0 112.399 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.512 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -85.1 -38.24 19.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.752 0.31 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.76 -24.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.08 -18.73 62.53 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.215 -0.303 . . . . 0.0 111.388 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.4 m -58.47 130.83 48.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.92 -29.61 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.521 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.27 -41.17 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.031 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.914 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 79.6 t80 -64.61 -50.09 68.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.901 177.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.72 85.16 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.99 -62.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.43 -41.98 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.668 0.27 . . . . 0.0 111.513 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.914 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 47.3 m-85 -86.86 -41.45 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.71 120.1 4.36 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.522 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.79 -14.65 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.52 0.676 . . . . 0.0 109.781 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 22.0 mt-10 -92.83 -2.83 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.088 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 13' ' ' LYS . 46.8 m -94.76 135.87 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.529 -171.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 14' ' ' TYR . 50.0 t -91.78 140.14 24.94 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 168.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 142' ' ' VAL . 80.3 Cg_exo -25.35 118.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 125.081 3.854 . . . . 0.0 115.055 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -40.29 86.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.552 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.11 -167.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.308 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 95' ' ' ARG . 15.8 mmm180 73.86 178.1 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.722 0.639 . . . . 0.0 111.698 172.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 35' ' ' GLN . . . 111.48 -51.49 0.7 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.635 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 148' ' ' LEU . 4.2 mm? 53.46 87.12 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.121 0.963 . . . . 0.0 112.063 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 149' ' ' GLU . 8.2 pt-20 -89.39 16.95 6.69 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.51 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -112.62 21.74 15.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -74.08 -11.77 60.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.213 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -83.41 122.2 28.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.916 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -103.34 139.53 38.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -88.54 19.49 3.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.905 0.383 . . . . 0.0 111.404 -171.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.069 171.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo . . . . . 0 N--CA 1.482 0.803 0 N-CA-C 111.267 -0.32 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 116.32 7.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 62.58 25.15 14.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.09 -176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 64.8 -80.71 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.972 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -116.04 140.8 48.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.906 0.384 . . . . 0.0 109.978 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.92 121.14 42.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.863 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.71 117.94 35.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.308 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.4 -177.41 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.556 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.56 121.69 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.284 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.16 88.3 5.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.36 0.6 . . . . 0.0 111.733 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -173.81 168.37 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.251 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 64.93 168.15 0.18 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.759 0.79 . . . . 0.0 112.696 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.33 131.52 45.43 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.92 101.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 111.234 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.1 132.71 32.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -81.04 95.69 6.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.448 0.642 . . . . 0.0 110.035 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 61.1 mttm -98.1 144.48 28.12 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.65 107.02 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.636 2.224 . . . . 0.0 110.986 173.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -17.99 4.27 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.144 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.19 140.09 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -74.62 167.84 20.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HB1' ' NH2' ' A' ' 57' ' ' ARG . . . -56.91 -45.13 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.948 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.58 -38.98 86.39 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 28' ' ' VAL . 33.3 mm-40 -66.5 -41.78 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.817 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -38.78 90.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.37 -42.66 87.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.172 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.21 87.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 24' ' ' GLU . 47.6 t -66.12 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.572 HD13 ' HB2' ' A' ' 53' ' ' GLU . 64.2 mt -64.96 -44.77 96.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.19 0.519 . . . . 0.0 110.2 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -61.61 -42.74 99.31 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.979 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.96 90.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.636 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.96 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.87 -31.33 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.36 -42.8 9.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.349 . . . . 0.0 111.722 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mm -72.83 -43.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.681 0.277 . . . . 0.0 111.665 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -109.97 -34.03 6.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.242 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 60.58 26.09 15.78 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.813 0.816 . . . . 0.0 109.718 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -165.53 150.27 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.943 -170.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' OD2' ' HE3' ' A' ' 43' ' ' LYS . 26.5 t70 -73.14 107.81 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 170.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -61.29 152.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.469 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.605 ' HB ' HD11 ' A' ' 75' ' ' LEU . 61.2 m -59.87 104.84 0.33 Allowed 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HE3' ' OD2' ' A' ' 40' ' ' ASP . 88.3 mttt -61.08 102.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.067 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 170.35 -23.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.457 -1.701 . . . . 0.0 107.853 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.671 ' HB3' HD23 ' A' ' 75' ' ' LEU . 22.9 p90 -55.06 155.1 4.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.437 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -59.97 151.3 26.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.81 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -66.67 -8.78 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.823 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.7 t -57.35 -27.45 62.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.181 175.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.0 -39.63 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.339 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 12.3 t -72.38 -31.26 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.546 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 35.8 t80 -66.4 -38.6 87.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.808 176.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.3 mt -61.22 -46.54 90.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.362 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB2' HD13 ' A' ' 29' ' ' ILE . 12.4 pt-20 -66.63 -32.9 74.52 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.664 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.5 p -71.85 -33.1 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.931 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 44.5 mt-30 -68.62 -48.92 62.85 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.834 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -64.35 -34.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' NH2' ' HB1' ' A' ' 22' ' ' ALA . 28.3 ttt180 -61.93 -48.72 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.94 -21.6 62.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 28.67 6.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.781 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 42.8 m-20 -82.0 -37.5 26.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.908 0.385 . . . . 0.0 110.719 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.2 pt -126.77 149.37 31.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.306 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -77.63 168.29 20.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 37.1 tpp -62.98 -37.17 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.227 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 28.7 ttpt -57.06 -39.48 75.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.337 0.589 . . . . 0.0 109.958 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 69' ' ' ARG . 74.4 mm-40 -74.29 -33.05 63.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.788 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.0 t80 -62.36 -43.66 98.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 63' ' ' MET . 94.3 t -59.31 -46.35 92.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.419 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB2' HG11 ' A' ' 128' ' ' VAL . 2.3 ttm180 -53.8 -48.66 69.63 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 65' ' ' GLU . 4.2 mpt_? -69.08 -36.77 77.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.564 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 70.7 mt -67.11 -38.06 84.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.674 0.273 . . . . 0.0 111.06 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.8 -24.95 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.973 0.416 . . . . 0.0 110.739 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -81.52 -12.66 58.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.077 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.8 m -75.43 148.42 83.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.188 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.66 -42.3 50.58 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.633 2.889 . . . . 0.0 113.465 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' ' 45' ' ' TYR . 3.5 mm? -64.95 -23.37 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.79 -45.92 11.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.389 0.614 . . . . 0.0 109.76 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' HD23 ' A' ' 120' ' ' LEU . 21.1 mtp180 -70.64 -45.2 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.701 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.37 -13.75 60.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.531 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -106.82 -46.18 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.88 -18.29 21.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 87.5 t80 -89.6 -71.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.4 tt0 -75.51 -49.68 3.71 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 93.8 Cg_exo -47.92 -34.29 22.05 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 122.335 2.023 . . . . 0.0 113.191 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 m-85 -87.46 -83.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.525 HG23 ' H ' ' A' ' 88' ' ' ARG . 10.8 tp 167.89 155.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -53.53 -47.86 69.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.1 m -60.57 -26.66 67.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.005 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.525 ' H ' HG23 ' A' ' 85' ' ' ILE . 15.1 tpp180 -86.33 -38.27 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 81' ' ' PHE . . . -62.81 -40.95 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.586 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 49.5 tp -57.69 -47.13 83.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.32 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -66.19 -46.28 77.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.031 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.23 -50.43 70.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.745 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.26 86.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.154 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.19 -58.97 5.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.823 -178.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 16.7 ptt85 -74.58 -18.39 60.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.782 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.6 -28.89 22.99 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.36 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.9 mt -99.48 -49.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.166 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.24 -5.15 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.46 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.87 -30.26 3.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.715 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -109.86 130.93 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.801 -0.235 . . . . 0.0 110.525 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.18 166.76 54.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.138 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.02 125.7 19.95 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.11 2.54 . . . . 0.0 112.396 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 m -107.86 -50.46 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.9 t -102.29 147.16 27.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.978 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -65.25 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.294 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.28 -43.14 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.3 -47.07 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.383 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 104' ' ' SER . 85.7 t -58.17 -54.44 32.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.763 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.36 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 111.5 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.32 -44.89 95.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -89.89 -25.61 20.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.58 -39.89 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.421 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 p -70.25 -24.37 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.657 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.92 -48.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.41 -24.98 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.287 0.565 . . . . 0.0 110.611 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -30.05 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.043 0.449 . . . . 0.0 110.143 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.1 t -82.85 -62.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.106 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -108.37 15.98 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.302 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.36 -160.52 53.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.861 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.617 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.3 tp -67.22 -46.7 51.17 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.145 -0.455 . . . . 0.0 112.149 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.5 Cg_endo -49.04 -45.88 27.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.533 2.155 . . . . 0.0 113.134 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.72 94.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.96 0.41 . . . . 0.0 110.818 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 56.0 tp -64.69 -43.45 93.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.213 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' LEU . 93.6 t -57.07 -52.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.986 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.94 -41.34 91.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.362 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.88 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.558 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 93.1 mt -82.53 -51.83 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.168 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 68' ' ' ARG . 75.5 t -63.63 -47.18 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -172.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.49 17.67 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.635 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 p -65.76 127.86 33.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.45 -24.49 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.349 -172.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 41.8 mt-10 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.03 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.428 ' OH ' ' HG3' ' A' ' 143' ' ' PRO . 29.3 t80 -66.39 -45.93 78.37 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.746 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.0 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.836 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.05 -33.93 26.34 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.462 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 16.2 t80 -62.05 -55.64 27.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.983 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -94.46 -41.75 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.127 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 113.68 149.66 10.3 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.706 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -89.69 -15.61 32.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -177.521 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.37 -23.95 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.981 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.4 m -90.56 145.39 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.805 -172.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.84 131.1 68.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.495 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HG3' ' OH ' ' A' ' 133' ' ' TYR . 33.3 Cg_exo -56.8 107.92 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.744 2.296 . . . . 0.0 112.095 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -119.61 137.54 53.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.381 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 98.2 mt -87.19 84.36 7.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.256 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -143.77 -70.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.756 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 80.36 -87.78 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.624 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.816 ' HG ' ' H ' ' A' ' 150' ' ' HIS . 2.7 pt? -74.04 -176.36 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.665 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -82.82 11.55 5.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.735 -176.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.816 ' H ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 m170 60.39 51.98 5.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 74.6 m80 67.06 -110.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -169.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 65.13 -71.53 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.812 0.695 . . . . 0.0 111.108 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -147.35 123.53 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.706 0.288 . . . . 0.0 110.225 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -95.58 -22.14 17.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 47.8 t60 . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.895 174.746 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 111.347 -0.29 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 56.53 -95.07 0.05 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.416 0.687 . . . . 0.0 112.187 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -124.26 2.61 8.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.716 0.293 . . . . 0.0 110.534 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 68.39 170.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -162.44 148.87 13.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.312 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -129.22 -40.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.99 96.72 9.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.011 0.434 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.91 -73.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.71 -90.21 0.03 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.734 0.646 . . . . 0.0 111.038 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -130.44 -60.7 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.845 0.355 . . . . 0.0 110.659 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 51.59 59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.023 0.916 . . . . 0.0 108.852 -171.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -81.11 158.67 24.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.926 -1.488 . . . . 0.0 111.321 -171.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -83.02 156.31 23.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.553 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -93.9 161.18 14.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.241 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.55 133.4 14.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.3 tpp -86.11 90.81 8.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.21 0.529 . . . . 0.0 109.895 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -121.42 148.68 50.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.026 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.55 -27.91 78.72 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.209 2.606 . . . . 0.0 113.443 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 34.93 2.44 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.187 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 71.1 mt -125.05 135.03 52.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 18.9 m -81.08 -177.78 6.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.207 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.73 81.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.733 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -47.27 80.11 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.873 0.368 . . . . 0.0 111.024 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 2.6 mp0 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.554 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 37.2 mttp -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.252 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -57.74 -45.47 85.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.673 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.06 94.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.677 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.569 HG13 HG21 ' A' ' 142' ' ' VAL . 90.6 t -63.07 -48.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.156 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 25' ' ' LYS . 41.5 mm -59.54 -48.28 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.225 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.15 -42.47 96.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.347 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.36 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.1 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.122 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HZ ' ' A' ' 66' ' ' PHE . 55.4 m-85 -66.18 -36.36 82.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.106 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 2.0 ttp180 -78.38 -6.4 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.039 -177.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HG2' ' HB2' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -103.84 -25.76 12.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.86 0.362 . . . . 0.0 111.016 177.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.7 -40.4 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -112.56 -4.41 14.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.82 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mp0 57.42 15.0 2.45 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.383 0.673 . . . . 0.0 112.519 -177.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -158.89 174.74 14.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.35 . . . . 0.0 110.974 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.89 140.87 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.763 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.0 pt -124.3 155.87 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.255 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.592 ' HB ' ' HB2' ' A' ' 45' ' ' TYR . 50.5 m -71.06 136.24 48.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 11.5 mptt -64.7 -48.2 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 109.48 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.85 19.02 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.237 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.592 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 3.4 t80 -65.16 -36.02 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.136 0.493 . . . . 0.0 109.966 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -143.62 4.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.91 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 69.83 -41.59 0.49 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.7 m -59.43 -22.57 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 44.9 mm -64.15 -47.08 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.982 176.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.191 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 64.2 t80 -58.21 -49.19 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.547 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' SER . 85.4 mt -68.79 -44.04 74.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.77 -47.05 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.965 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -62.98 -48.46 78.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.928 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 50.2 mt-30 -54.44 -52.92 60.28 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.81 -34.86 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.961 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 57' ' ' ARG . 17.6 ttm180 -67.72 -41.51 83.39 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.93 0.395 . . . . 0.0 110.652 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -67.25 -21.59 65.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.99 18.32 40.5 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.62 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.04 -44.81 25.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.772 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 39.1 pt -120.27 167.67 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.401 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -99.48 176.04 5.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.998 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.42 -30.23 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.77 -54.1 43.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.348 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 46.7 mm-40 -63.9 -37.36 87.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.587 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HZ ' ' CZ ' ' A' ' 33' ' ' TYR . 41.2 t80 -64.44 -52.2 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.052 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.4 -42.18 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.218 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.569 ' HB2' HG11 ' A' ' 128' ' ' VAL . 29.8 ttm105 -54.57 -51.64 64.62 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.117 0.484 . . . . 0.0 110.894 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -70.31 -25.43 63.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.477 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -73.32 -45.91 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.669 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.67 62.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -76.18 -18.31 59.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.787 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.5 m -71.57 149.39 93.38 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-O 121.323 0.582 . . . . 0.0 111.857 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.66 -26.03 62.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.046 2.497 . . . . 0.0 112.074 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.84 -36.35 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.146 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.489 ' HD2' HD21 ' A' ' 120' ' ' LEU . 45.2 t80 -80.72 -27.86 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.808 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -59.09 -28.49 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 172.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -93.51 -38.87 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.249 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -98.5 112.01 24.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.437 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 68.42 22.86 7.72 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -100.01 -45.48 5.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 167.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 8.7 mm-40 61.22 104.04 0.03 OUTLIER Pre-proline 0 N--CA 1.457 -0.098 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.578 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.7 65.53 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.645 2.896 . . . . 0.0 112.417 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.683 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 97.2 m-85 -133.31 -162.32 1.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.414 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.499 HG12 ' H ' ' A' ' 87' ' ' SER . 15.7 tt -63.6 135.33 27.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.001 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -61.71 -17.42 55.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.2 m -61.47 -14.56 29.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.902 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -104.54 -42.25 5.49 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.425 0.631 . . . . 0.0 110.723 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.62 70.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.645 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.88 -58.8 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -64.97 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.246 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.27 -43.84 96.81 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.043 0.449 . . . . 0.0 110.473 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.33 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.383 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 98' ' ' LEU . 9.0 m-85 -55.94 -38.11 69.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.297 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -60.07 -50.28 74.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.553 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.46 ' O ' ' HD3' ' A' ' 146' ' ' ARG . 11.0 m80 -80.54 -33.91 35.93 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.4 -45.29 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.637 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 127' ' ' LEU . 46.8 mt -105.34 -47.34 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.204 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.617 ' HA2' ' HG2' ' A' ' 146' ' ' ARG . . . 121.99 -7.46 10.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.483 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -159.48 155.3 26.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.55 174.42 54.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.71 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.7 128.4 14.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.091 2.527 . . . . 0.0 112.295 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 m -99.0 15.99 23.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 108' ' ' VAL . 42.0 t -141.56 136.11 30.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.828 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -64.18 -39.95 95.07 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.81 -43.04 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.391 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 6.7 tp10 -64.77 -35.21 80.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.923 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 104' ' ' SER . 95.2 t -60.86 -59.97 3.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.28 -32.07 69.69 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.151 0.5 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -59.4 -59.77 4.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.185 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -79.03 -23.98 43.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.652 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -59.33 -42.97 92.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 0.0 109.999 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.2 m -64.11 -40.82 97.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.6 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.12 -50.01 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.76 -23.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.0 t -77.24 -37.09 53.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.4 m -91.94 -42.49 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.7 -23.57 20.58 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.771 -176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.9 -160.62 20.91 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.751 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 56.2 tp -64.95 -52.74 47.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.87 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -52.07 -42.36 59.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 122.403 2.069 . . . . 0.0 112.609 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.885 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.0 -39.76 87.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.956 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 120' ' ' LEU . 67.5 t -61.3 -51.13 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.41 -42.14 91.12 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.972 0.415 . . . . 0.0 110.836 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.96 98.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.673 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 98' ' ' LEU . 94.0 mt -80.68 -48.97 11.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.712 -176.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 68' ' ' ARG . 59.4 t -68.19 -44.25 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.715 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.58 9.9 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.734 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -66.25 116.88 7.77 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 169.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.0 mm100 -67.67 -23.91 65.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.26 -52.92 59.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -68.01 -49.29 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.131 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -62.23 -43.52 98.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.747 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -82.86 -38.65 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.536 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.53 -55.44 27.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.272 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -80.27 -38.37 31.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.095 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.8 165.14 19.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.177 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -93.47 -17.51 23.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.115 0.483 . . . . 0.0 110.44 -178.303 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.58 -25.03 19.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.328 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.9 m -65.22 130.37 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.348 0.594 . . . . 0.0 112.41 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.569 HG21 HG13 ' A' ' 28' ' ' VAL . 92.1 t -93.42 137.7 23.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.122 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.751 ' HB3' ' HD2' ' A' ' 146' ' ' ARG . 3.3 Cg_endo -47.04 139.91 14.36 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.957 3.105 . . . . 0.0 113.719 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.67 -90.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.48 79.3 0.27 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.301 0.572 . . . . 0.0 110.206 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.751 ' HD2' ' HB3' ' A' ' 143' ' ' PRO . 94.3 mtt180 -145.56 -33.55 0.35 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.996 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -113.38 87.71 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 pp -95.05 -17.24 22.05 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -168.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.96 129.79 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.845 0.715 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -82.04 -63.75 1.32 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.558 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.94 159.74 26.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.542 -0.169 . . . . 0.0 110.542 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 51.81 43.91 29.72 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.404 0.621 . . . . 0.0 110.067 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -88.39 71.65 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.552 0.692 . . . . 0.0 112.834 -168.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -97.06 -31.91 12.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 55.6 t60 . . . . . 0 C--O 1.243 0.76 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.011 176.948 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo . . . . . 0 N--CA 1.48 0.733 0 N-CA-C 110.658 -0.555 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -108.06 123.1 48.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.8 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m 69.54 -55.47 0.58 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.327 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -83.49 104.74 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 0.0 110.494 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.7 -28.1 13.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.713 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 60.61 -102.51 0.13 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.936 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 55.08 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.272 0.629 . . . . 0.0 111.823 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.36 80.45 1.91 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.18 -1.02 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.926 -174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 63.72 87.56 0.11 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.417 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -88.72 -18.94 26.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.576 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -82.29 104.36 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.544 0.688 . . . . 0.0 110.074 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -122.41 174.0 7.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.989 -175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -68.32 110.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.827 0.346 . . . . 0.0 110.129 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -144.2 130.25 19.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.412 ' SD ' HG22 ' A' ' 56' ' ' VAL . 48.1 ttm -83.06 98.74 9.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 0.0 110.321 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -135.53 143.2 44.11 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.32 117.37 4.07 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.67 2.247 . . . . 0.0 111.507 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.2 -17.29 2.94 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.503 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 88.0 mt -79.72 155.7 27.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 110.371 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.0 m -81.73 170.01 16.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.944 174.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.06 97.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.084 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.05 -32.65 74.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 11.1 mm-40 -64.61 -49.57 70.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.122 0.487 . . . . 0.0 109.823 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 29' ' ' ILE . 99.7 mttt -65.39 -35.92 82.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -58.75 -45.02 90.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.44 91.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.032 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.49 -49.74 83.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.992 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.2 mt -66.01 -40.42 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.71 -35.7 81.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.263 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.67 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.7 87.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HG22 ' A' ' 29' ' ' ILE . 54.9 m-85 -60.91 -44.95 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.207 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 34' ' ' ARG . 22.0 ttt180 -68.37 -22.0 64.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.185 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -85.89 -45.01 11.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.26 -46.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.415 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -86.19 -15.1 41.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.713 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 55.7 mt-10 62.95 25.62 15.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.485 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -157.01 161.78 39.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 111.034 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.76 112.4 17.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.997 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.95 141.73 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.938 0.399 . . . . 0.0 111.611 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 t -173.84 -53.01 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.959 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.53 106.3 0.92 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 61.92 29.5 17.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.058 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' HB3' HG13 ' A' ' 49' ' ' ILE . 24.7 m-85 -81.98 63.65 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 112.222 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m 56.79 -169.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.625 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -105.61 -26.44 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.074 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 m -63.69 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.877 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 45' ' ' TYR . 33.2 mm -59.54 -58.01 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.727 0.299 . . . . 0.0 111.082 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -68.41 -24.78 64.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.63 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.0 t80 -70.94 -41.93 70.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.31 -39.2 74.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.748 0.309 . . . . 0.0 110.289 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HG3' HG21 ' A' ' 29' ' ' ILE . 34.7 tt0 -54.47 -47.4 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 p -69.55 -32.46 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.372 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.8 mt-30 -64.37 -47.45 79.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.959 0.409 . . . . 0.0 110.854 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG22 ' SD ' ' A' ' 16' ' ' MET . 8.5 p -74.01 -32.35 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.003 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -74.75 -27.74 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.028 176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -67.34 -25.73 66.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 174.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 11.04 61.21 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.85 -45.29 51.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.563 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 38.1 pt -112.86 176.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.936 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.8 p -117.85 -178.77 3.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.0 mmm -63.54 -18.6 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.039 0.447 . . . . 0.0 110.261 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 148' ' ' LEU . 43.5 tptt -60.22 -59.57 5.2 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.545 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 18.2 mp0 -65.97 -40.0 90.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.095 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 27.5 t80 -56.62 -56.2 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.278 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.48 -47.07 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.64 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HG11 ' A' ' 128' ' ' VAL . 10.8 ptt180 -68.27 -32.02 71.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.564 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -73.17 -34.3 65.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 90.9 mt -66.42 -48.6 69.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -71.13 -25.06 62.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.818 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 121' ' ' PRO . 55.9 tttm -76.98 -17.99 58.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.8 m -61.53 139.1 95.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.479 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.45 -26.84 46.59 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.792 2.994 . . . . 0.0 113.297 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.23 -45.24 92.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.4 -22.98 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.981 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.553 ' HA ' HD23 ' A' ' 120' ' ' LEU . 53.5 ttt-85 -80.79 -31.54 35.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.05 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -78.37 -38.24 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.38 -177.84 6.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 39.8 t80 68.4 -64.72 0.29 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HB2' HD22 ' A' ' 120' ' ' LEU . 86.5 t80 -79.44 -44.25 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 13.7 mm-40 -69.69 -49.32 21.44 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -177.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 25.6 Cg_endo -63.4 -19.48 68.16 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.055 1.836 . . . . 0.0 112.772 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -112.45 -162.17 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.422 HD13 ' H ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -119.86 167.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.507 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.52 -39.88 71.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.951 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 p -60.98 -52.74 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.451 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 53.7 mtt180 -70.05 -29.85 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.65 99.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 0.0 110.17 176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.86 -46.17 90.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.566 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 92.4 mt -67.3 -37.34 83.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.683 0.278 . . . . 0.0 110.753 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.93 79.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.426 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -58.4 -34.9 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.901 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 25.2 tpt180 -73.34 -31.71 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.514 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -81.9 -45.22 15.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.617 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 124' ' ' VAL . 64.9 mt -84.15 -74.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.896 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.96 -26.76 63.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.941 0.4 . . . . 0.0 111.162 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 78.46 21.26 70.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -137.34 -169.86 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.74 147.34 17.92 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.625 ' HB2' HG22 ' A' ' 108' ' ' VAL . 18.2 Cg_endo -59.65 112.21 1.19 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.389 2.06 . . . . 0.0 111.212 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -96.47 -22.04 17.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.857 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.2 t -97.91 140.95 31.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.956 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' ARG . 18.3 mmt180 -64.42 -40.36 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 110.367 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 46.1 mt-10 -59.76 -44.59 93.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.83 174.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 102' ' ' PRO . 41.9 tt0 -60.71 -44.97 95.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.415 -178.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.625 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.5 t -55.59 -57.95 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.939 0.399 . . . . 0.0 110.587 177.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.5 -26.27 66.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.774 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.0 tmtm? -63.7 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 110.33 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.05 -23.91 21.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.1 -40.75 90.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.116 0.484 . . . . 0.0 110.14 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 p -70.61 -36.14 73.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 110' ' ' LYS . 71.1 mt -60.29 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.966 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 123' ' ' LEU . 11.6 p -68.46 -27.53 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.466 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 m -81.44 -40.51 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.99 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.4 t -73.85 -46.19 46.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.696 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.59 -70.67 1.1 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.057 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 154.72 -174.51 33.01 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 59.8 tp -62.18 -50.52 79.67 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.82 0.31 . . . . 0.0 111.482 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.722 ' HB3' ' HG3' ' A' ' 72' ' ' LYS . 52.0 Cg_exo -55.95 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.929 1.753 . . . . 0.0 112.348 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.75 98.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.957 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 115' ' ' VAL . 64.2 tp -61.49 -49.43 76.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.144 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.501 HG13 HD11 ' A' ' 97' ' ' ILE . 96.7 t -58.96 -45.97 91.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.522 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.08 -54.78 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HA ' ' OD2' ' A' ' 129' ' ' ASP . . . -63.77 -34.0 76.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.035 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.81 -31.27 64.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.638 0.256 . . . . 0.0 111.189 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 68' ' ' ARG . 79.9 t -78.88 -33.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.511 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 126' ' ' ALA . 1.7 p30 -90.93 -4.28 56.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.581 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.9 p -54.75 138.82 41.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 8.2 tp-100 -75.08 -16.66 60.55 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.524 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -61.06 -60.36 3.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 0.0 109.44 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 2.5 t80 -62.84 -36.16 82.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.914 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 148' ' ' LEU . . . -68.09 -26.01 65.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.486 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.86 -20.42 33.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.667 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 1.0 OUTLIER -50.47 -65.39 0.57 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.794 -172.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.934 ' HB3' ' HB2' ' A' ' 146' ' ' ARG . 60.6 t80 -151.66 -41.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -174.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.857 ' HA2' HD12 ' A' ' 148' ' ' LEU . . . 154.52 174.58 24.71 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 119.055 -1.545 . . . . 0.0 113.81 -170.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -109.32 -4.94 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -32.77 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.933 0.397 . . . . 0.0 111.625 -170.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -77.02 159.05 30.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 143' ' ' PRO . 37.6 t -72.48 141.32 82.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 142' ' ' VAL . 78.2 Cg_exo -50.99 90.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.158 2.572 . . . . 0.0 114.567 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -112.67 36.65 3.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 165.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.427 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 24.0 mt 72.5 83.61 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 113.367 -1.742 . . . . 0.0 110.182 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.934 ' HB2' ' HB3' ' A' ' 137' ' ' PHE . 0.5 OUTLIER -168.26 161.72 12.34 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.226 -177.019 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.54 45.51 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 119.351 -1.404 . . . . 0.0 113.139 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.857 HD12 ' HA2' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -171.44 163.81 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.396 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.99 174.91 7.28 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -77.53 -27.95 51.83 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -164.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 55.96 -155.91 0.28 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 155' ' ' HIS . 7.7 p-80 -76.65 78.99 3.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.775 0.797 . . . . 0.0 109.531 170.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -83.85 -10.31 58.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.442 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -128.47 34.01 4.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.65 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.455 ' O ' ' HB2' ' A' ' 152' ' ' HIS . 58.4 m80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.906 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo . . . . . 0 N--CA 1.48 0.695 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -85.49 80.88 8.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.366 0.603 . . . . 0.0 111.062 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -106.53 0.87 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.37 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -82.39 98.77 9.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.826 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -155.65 127.87 7.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.373 0.606 . . . . 0.0 110.969 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -115.76 157.38 24.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 96.2 0.38 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.09 -24.78 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.904 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.02 -7.8 50.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.512 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.2 mttp 66.92 93.8 0.07 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.548 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.616 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 1.9 mmp_? -124.89 135.86 53.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.294 -174.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.74 -171.43 3.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.227 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm 59.43 86.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.616 0.572 . . . . 0.0 111.867 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.15 102.82 13.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.863 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -113.33 133.59 55.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.72 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG3' HD11 ' A' ' 20' ' ' LEU . 41.5 ttm -82.03 94.16 7.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.316 0.579 . . . . 0.0 109.866 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 72.8 mttt -72.03 153.94 92.59 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.295 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.6 100.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.637 2.225 . . . . 0.0 112.232 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 34.24 53.68 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.405 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -71.46 156.11 39.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 178.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.51 160.43 19.42 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.33 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.564 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.25 -47.13 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.808 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.6 mp0 -61.31 -46.56 89.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.557 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.3 ttmt -62.53 -40.12 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.404 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.27 -48.57 81.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.956 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.9 99.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.521 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.1 t -62.42 -50.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.363 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.79 -37.5 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.64 -45.3 94.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.226 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.38 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.594 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.88 82.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.192 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.531 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 43.9 m-85 -70.31 -23.44 62.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 40.7 ttp180 -83.27 -16.77 45.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.156 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.75 -44.85 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.424 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.473 HD11 HG13 ' A' ' 67' ' ' VAL . 49.8 mm -76.53 -60.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.432 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.82 4.2 31.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.072 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 38.0 mt-10 56.96 33.38 23.19 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.642 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.9 tpt180 70.21 10.42 7.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.618 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.76 53.47 2.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.057 0.456 . . . . 0.0 110.999 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.601 ' HA ' ' HE2' ' A' ' 45' ' ' TYR . 44.1 pt -114.33 131.4 66.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.0 t 177.59 -173.88 0.13 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.207 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt 67.85 -88.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.636 0.774 . . . . 0.0 112.331 172.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.61 -11.71 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -170.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.601 ' HE2' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -112.57 118.15 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.057 0.456 . . . . 0.0 111.05 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -161.27 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.977 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.97 -47.92 67.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -60.82 -36.37 78.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.759 0.79 . . . . 0.0 110.445 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.531 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 75.4 mt -67.44 -47.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.24 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 p -69.09 -31.66 70.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.823 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.31 -52.5 61.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.228 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.83 -38.19 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.356 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.78 -50.44 72.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.197 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 m -61.3 -38.33 86.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -69.99 -42.82 72.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.66 -31.55 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.332 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.84 -32.3 73.48 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.628 175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.48 -19.31 60.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.23 11.37 75.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.544 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.67 -45.6 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.112 0.482 . . . . 0.0 110.35 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.1 pt -119.95 140.36 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.282 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.1 p -74.92 173.02 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpt -68.26 -30.64 69.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.7 ' HE2' ' HA ' ' A' ' 129' ' ' ASP . 79.2 tttt -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.956 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 68' ' ' ARG . 28.3 tp10 -64.69 -42.71 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.06 -53.01 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.332 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.473 HG13 HD11 ' A' ' 36' ' ' ILE . 56.3 t -60.11 -42.9 91.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 27.0 ttp180 -61.24 -42.15 98.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -65.42 -36.11 82.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.045 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.58 -54.81 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.24 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.407 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -74.12 -18.79 60.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.158 -174.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 12.6 tmtt? -79.13 -22.32 45.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -71.36 154.96 93.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.703 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -54.61 -26.47 46.26 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.741 2.961 . . . . 0.0 114.051 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.15 -53.76 53.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -68.0 -32.96 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.618 0.723 . . . . 0.0 109.469 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.573 ' HA ' HD23 ' A' ' 120' ' ' LEU . 30.0 ttm180 -66.09 -42.34 89.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.664 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 82' ' ' GLU . 97.1 mttt -76.42 -11.4 59.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.722 0.296 . . . . 0.0 111.138 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.65 -44.08 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 0.0 111.046 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -115.09 48.19 1.19 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.705 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -165.73 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.456 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.606 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 33.6 mm-40 -77.85 -59.26 0.81 Allowed Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.757 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 58.9 Cg_endo -77.93 -53.79 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.42 1.413 . . . . 0.0 111.769 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.3 131.86 35.23 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.7 pt -83.07 170.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.923 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.5 p30 -52.17 -32.64 36.85 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.274 -177.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 m -52.67 -50.51 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.664 0.386 . . . . 0.0 111.624 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -91.11 -27.67 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.73 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -56.89 -42.88 80.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.753 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.69 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.28 -52.38 61.6 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.19 -37.59 83.94 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.293 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.88 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.617 0.246 . . . . 0.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HD1' HD12 ' A' ' 98' ' ' LEU . 25.7 m-85 -56.72 -39.55 74.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.101 0.476 . . . . 0.0 111.424 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -81.27 -39.09 25.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.676 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.55 -33.75 58.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 85.5 mt -95.24 -60.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.662 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.675 HD11 HD22 ' A' ' 127' ' ' LEU . 73.2 mt -78.18 -18.22 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.435 -173.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.42 21.39 76.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.808 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -117.29 -56.58 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.529 . . . . 0.0 111.133 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.1 172.68 37.23 Favored Glycine 0 N--CA 1.442 -0.94 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 16.1 Cg_exo -68.2 88.93 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.45 2.1 . . . . 0.0 111.441 176.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -75.16 -39.57 60.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.456 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.631 ' HB2' ' OE1' ' A' ' 106' ' ' GLU . 13.6 p -128.36 149.02 50.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.746 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 6.5 tpt180 -65.87 -34.22 77.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 110.992 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 4.3 pm0 -67.58 -37.88 83.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.24 -36.2 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 102' ' ' PRO . 86.8 t -56.72 -57.93 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.427 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -61.0 -38.47 86.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.869 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.61 -48.2 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.854 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.8 -23.33 17.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.86 -37.52 84.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.112 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -62.79 -34.04 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.258 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.82 -46.85 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -71.02 -18.83 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.1 t -82.25 -28.39 31.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.4 p -100.5 -49.2 4.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.21 -4.47 56.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.916 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.26 -170.95 51.41 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.642 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 31.9 tp -63.73 -46.4 82.44 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.7 Cg_endo -49.55 -45.89 29.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.452 2.102 . . . . 0.0 113.01 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.4 88.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.435 HD22 ' HB ' ' A' ' 115' ' ' VAL . 63.2 tp -62.86 -50.37 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.472 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.48 -47.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.402 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 19.6 t70 -56.45 -48.18 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.782 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 130' ' ' SER . . . -59.61 -39.85 85.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 98' ' ' LEU . 94.2 mt -72.22 -49.31 36.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.575 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 43.2 t -76.82 -41.78 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.7 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.2 t70 -81.12 -6.37 58.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -173.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' ALA . 95.5 p -62.8 142.22 58.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.452 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 89.7 mm-40 -80.61 -20.35 43.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.876 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.02 -55.2 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.43 ' O ' ' HD1' ' A' ' 137' ' ' PHE . 54.6 t80 -66.73 -41.26 88.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.471 ' HA ' ' HE1' ' A' ' 137' ' ' PHE . . . -57.19 -41.14 78.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.375 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.84 -32.06 72.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.104 0.478 . . . . 0.0 110.492 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.48 -56.56 11.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.278 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.504 ' HD1' ' H ' ' A' ' 137' ' ' PHE . 0.3 OUTLIER -102.24 -26.86 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.305 -172.182 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.35 151.1 27.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.91 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 pm0 -74.52 -9.19 58.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.833 0.316 . . . . 0.0 111.519 -173.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.01 -13.44 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.62 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 18.9 m -93.35 148.66 21.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -170.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -87.16 130.24 48.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.857 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.0 134.5 55.96 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.37 2.713 . . . . 0.0 112.871 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -151.85 163.2 39.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.64 145.88 31.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.027 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 146' ' ' ARG . 24.0 ttt85 -87.15 129.76 34.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -54.06 131.09 44.69 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.543 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.1 mt -88.04 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 152' ' ' HIS . 35.9 mt-10 51.56 53.55 12.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.268 0.556 . . . . 0.0 110.572 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -58.28 115.72 3.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.354 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 55.2 t60 70.98 20.06 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.157 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 149' ' ' GLU . 14.9 t-80 -82.73 94.45 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.3 -68.64 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.829 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -156.33 82.63 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.951 0.405 . . . . 0.0 110.743 -175.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.288 176.151 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.477 0.553 0 N-CA-C 110.517 -0.609 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 61.41 41.92 12.24 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.493 0.496 . . . . 0.0 111.196 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -76.99 -14.55 59.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -95.17 -130.46 0.15 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.901 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 62.77 36.79 12.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.829 0.823 . . . . 0.0 109.044 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.802 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 83.8 m-20 -109.2 123.38 49.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.285 -170.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.651 ' H ' ' HD3' ' A' ' 64' ' ' LYS . . . -141.29 -171.71 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.046 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.89 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -145.65 -157.57 0.81 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.664 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 97' ' ' ILE . . . -137.19 86.34 2.19 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' H ' ' HB2' ' A' ' 143' ' ' PRO . 15.6 mtmm 69.2 146.74 0.06 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 166.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' HB3' ' CG1' ' A' ' 142' ' ' VAL . 7.0 tpt180 158.82 -82.32 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.802 -1.544 . . . . 0.0 109.461 165.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 175.04 164.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -69.44 80.74 0.39 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.918 0.866 . . . . 0.0 112.368 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.3 m-85 -111.12 141.75 44.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 169.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -123.47 141.81 51.63 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.805 -173.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.482 ' SD ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -89.4 43.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.967 172.104 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD21 ' A' ' 20' ' ' LEU . 24.0 pttm -88.87 156.02 49.83 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.82 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.3 151.46 83.32 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.927 2.418 . . . . 0.0 111.836 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.57 45.3 6.51 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.106 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HG2' ' A' ' 24' ' ' GLU . 84.5 mt -126.72 157.88 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.811 0.339 . . . . 0.0 110.5 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -80.96 162.85 23.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.49 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.68 -32.88 74.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG2' HD22 ' A' ' 20' ' ' LEU . 13.8 tp10 -67.59 -48.77 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.882 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HE2' ' HB2' ' A' ' 20' ' ' LEU . 71.7 mmtt -57.24 -42.63 81.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.393 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -63.27 -44.87 93.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.901 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.94 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.282 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 14' ' ' TYR . 51.7 t -61.67 -49.76 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.094 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.4 mt -65.0 -43.39 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.29 -43.92 97.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . -62.83 -41.34 99.29 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -60.55 -51.48 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -56.53 -35.81 68.52 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 63.7 ttt180 -74.65 -26.67 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.206 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -91.05 -6.48 53.8 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.772 -0.58 . . . . 0.0 111.553 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 32' ' ' ALA . 51.0 mm -90.27 -58.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' HE1' ' HB2' ' A' ' 76' ' ' TYR . 33.9 m-85 -121.31 6.14 10.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.518 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 15.6 tp10 72.18 6.42 5.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.919 0.866 . . . . 0.0 108.715 -167.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? 56.89 -90.42 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.741 -173.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t70 66.51 -47.23 0.44 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.648 0.779 . . . . 0.0 112.639 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 pt -52.31 153.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 123.335 0.654 . . . . 0.0 111.347 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -76.63 160.72 29.15 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.604 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -80.82 31.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.928 -171.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.76 9.31 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.145 0.497 . . . . 0.0 110.006 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.6 103.75 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.498 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m 66.37 124.48 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.728 0.775 . . . . 0.0 112.409 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.67 -28.86 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.365 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -60.06 -37.03 78.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.8 mm -66.9 -39.86 84.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.338 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -70.38 -33.11 71.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.87 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.623 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.9 t80 -67.86 -51.42 48.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.67 -38.25 84.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 39.2 tt0 -57.84 -42.53 84.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.995 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -79.01 -33.32 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.42 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 18.2 mm100 -59.52 -50.12 75.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.642 0.258 . . . . 0.0 110.906 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.8 p -71.28 -32.84 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -60.08 -40.68 90.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.969 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.54 -1.77 56.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.04 27.97 63.32 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.89 -39.66 42.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.266 0.555 . . . . 0.0 109.861 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -122.39 144.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.9 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -75.82 160.86 29.53 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.6 tpp -56.23 -27.36 54.63 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 110.275 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.802 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 21.3 tptm -50.23 -59.62 3.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.874 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.03 -28.01 64.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.587 -174.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.0 t80 -64.96 -62.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.016 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.89 HG21 ' HB1' ' A' ' 8' ' ' ALA . 53.3 t -57.55 -42.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.255 0.55 . . . . 0.0 110.6 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 75.7 ttt180 -54.77 -56.7 16.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.376 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.672 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.8 mt -69.64 -46.05 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.221 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -10.0 59.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.509 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.83 16.08 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.984 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -77.61 147.5 75.04 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.597 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.73 -34.13 95.5 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.696 2.264 . . . . 0.0 112.204 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.9 tp -61.38 -53.55 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 177.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.688 ' HB2' ' HE1' ' A' ' 37' ' ' PHE . 87.7 t80 -67.52 -33.73 75.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.693 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HA ' HD23 ' A' ' 120' ' ' LEU . 59.9 ttp180 -60.55 -39.98 89.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -72.3 -35.32 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.9 mm-40 -69.96 133.36 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.489 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 83' ' ' PRO . 72.0 m-85 72.74 -41.84 0.52 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.539 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HB2' HD22 ' A' ' 120' ' ' LEU . 76.2 t80 -65.35 -27.71 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.638 -177.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 5.9 mm-40 -83.12 -53.14 0.6 Allowed Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 35.5 Cg_exo -63.03 -31.79 76.22 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.09 1.86 . . . . 0.0 112.83 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -120.4 130.36 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 pt -73.62 176.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.263 . . . . 0.0 110.995 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.04 -35.93 62.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -61.91 -38.16 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.957 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.09 -35.32 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.61 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.1 -58.79 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.385 175.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.19 -38.01 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.54 -45.12 94.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.188 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.86 92.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.512 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 14.1 m-85 -58.34 -40.24 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.363 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.422 ' O ' ' HD3' ' A' ' 10' ' ' LYS . 64.8 ttt180 -83.64 -27.85 28.83 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.804 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -77.59 -27.85 51.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.815 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.495 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . 72.8 mt -102.86 -69.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.686 0.279 . . . . 0.0 111.248 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 127' ' ' LEU . 62.2 mt -69.34 -41.05 77.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.53 17.71 11.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -145.43 -84.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.744 0.772 . . . . 0.0 111.721 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 155.85 172.32 23.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.073 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.58 155.59 40.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.789 2.326 . . . . 0.0 112.086 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.8 p -90.14 -62.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -133.58 174.7 10.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -171.501 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 105' ' ' ARG . 49.2 mtt180 -54.79 -47.73 73.6 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.514 0.509 . . . . 0.0 112.365 -171.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -58.91 -46.06 88.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.3 -37.85 84.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.945 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' SER . 97.0 t -62.7 -58.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.265 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 112' ' ' PHE . 2.5 mp0 -61.92 -28.66 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -57.63 -57.14 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.757 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -79.58 -23.48 42.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 109' ' ' GLN . 89.1 t80 -61.6 -34.59 75.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.157 0.503 . . . . 0.0 109.867 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 m -65.45 -34.24 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.375 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.29 -46.14 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.64 -21.18 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.4 t -82.22 -47.65 12.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.6 t -69.67 -55.8 8.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.449 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -93.19 -41.18 4.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.599 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.86 -172.58 15.17 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.826 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.9 tp -59.17 -51.09 84.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.814 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 37.2 Cg_exo -58.91 -33.0 98.45 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.731 1.621 . . . . 0.0 112.503 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.21 79.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.939 0.399 . . . . 0.0 110.324 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.9 tp -66.78 -38.21 86.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.818 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.66 -51.7 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.438 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.35 -42.31 81.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.705 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.33 77.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.493 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -87.66 -36.41 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 64' ' ' LYS . 58.2 t -80.46 -27.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.897 0.379 . . . . 0.0 111.238 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -98.51 13.87 30.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.429 0.633 . . . . 0.0 110.371 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -71.32 137.5 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -70.52 -49.71 45.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.728 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.34 -39.76 91.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.37 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -70.15 -39.36 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.24 95.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.068 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.08 -29.73 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.951 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -83.01 -55.78 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.91 -42.42 9.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.45 171.17 26.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.518 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 6' ' ' ASN . 10.4 pt-20 -96.52 -37.94 10.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.515 0.197 . . . . 0.0 111.482 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.638 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 52.3 mt-10 -70.82 -33.78 71.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.315 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 90.9 m -88.8 122.24 32.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 11' ' ' ARG . 25.6 t -63.72 128.4 92.73 Favored Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 39.6 Cg_exo -59.66 165.05 10.38 Favored 'Trans proline' 0 CA--C 1.522 -0.124 0 C-N-CA 123.533 2.822 . . . . 0.0 112.889 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 146' ' ' ARG . 28.9 p90 -146.96 166.53 26.5 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.042 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.31 88.33 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.427 ' HB3' ' CE1' ' A' ' 144' ' ' TYR . 19.5 tpp180 -179.89 133.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.749 -177.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 149' ' ' GLU . . . 91.64 -151.52 20.95 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.107 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 148' ' ' LEU . 2.3 tm? 72.74 -20.03 0.29 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.419 0.688 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 147' ' ' GLY . 2.9 pt-20 -51.3 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.01 0.924 . . . . 0.0 112.185 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.443 ' H ' ' HG3' ' A' ' 149' ' ' GLU . 73.2 t60 70.21 -38.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 112.403 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 79.7 t60 67.08 96.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.238 0.615 . . . . 0.0 110.856 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -76.93 99.0 5.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -113.23 -173.69 2.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -58.17 122.9 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.982 0.42 . . . . 0.0 110.584 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 . . . . . 0 C--O 1.243 0.716 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.52 -179.218 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 N--CA 1.477 0.557 0 N-CA-C 110.553 -0.595 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -86.71 71.72 10.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.328 0.585 . . . . 0.0 110.367 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -165.38 102.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.05 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -107.2 102.18 11.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.857 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.02 -17.29 57.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -100.87 147.8 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.874 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.07 162.47 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.962 0.411 . . . . 0.0 111.991 -175.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.66 165.84 31.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.419 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.17 63.32 4.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 10' ' ' LYS . 40.3 tptt 64.11 16.69 10.17 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.329 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 70.34 121.18 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.883 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.15 157.38 34.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.979 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -73.31 156.94 37.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.083 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -86.3 113.78 22.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.319 0.58 . . . . 0.0 110.128 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 141' ' ' THR . . . -147.71 141.88 26.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.899 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.552 ' SD ' HG22 ' A' ' 56' ' ' VAL . 46.5 ttm -103.32 106.36 16.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.245 0.545 . . . . 0.0 109.747 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -126.96 156.9 73.43 Favored Pre-proline 0 C--N 1.316 -0.869 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.591 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.36 108.61 0.53 Allowed 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.262 1.974 . . . . 0.0 111.523 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.46 38.01 0.43 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.131 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -117.45 168.62 10.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.965 0.412 . . . . 0.0 110.704 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.601 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 20.3 m -103.08 -177.09 3.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.438 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 -55.23 23.24 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -35.24 79.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 2.1 mp0 -58.87 -50.25 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.872 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' ILE . 82.1 mttt -61.99 -46.79 87.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.721 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -61.52 -40.16 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.213 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.09 95.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 96.3 t -65.21 -40.49 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.777 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 33' ' ' TYR . 67.7 mt -64.54 -45.72 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.36 -46.15 89.45 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.131 0.491 . . . . 0.0 110.567 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.94 89.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.29 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.63 74.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HG22 ' A' ' 29' ' ' ILE . 28.7 m-85 -55.11 -60.43 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.268 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.97 -22.6 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.88 -173.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HB3' ' A' ' 144' ' ' TYR . 44.2 tt0 -80.31 -43.85 20.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.242 -0.287 . . . . 0.0 111.204 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.41 -48.12 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.662 ' HA ' ' HE1' ' A' ' 76' ' ' TYR . 82.6 m-85 -84.49 -5.24 59.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.576 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HG3' ' HZ ' ' A' ' 80' ' ' PHE . 28.7 mm-40 64.74 12.65 7.81 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.039 0.447 . . . . 0.0 111.457 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 41' ' ' ILE . 67.1 ttt180 -174.86 160.71 2.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -171.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -78.24 32.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.363 0.601 . . . . 0.0 110.376 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.666 HG21 HD21 ' A' ' 75' ' ' LEU . 1.2 mt 48.62 -143.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.544 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -110.06 140.22 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.651 0.262 . . . . 0.0 111.432 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -71.93 78.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 176.63 -45.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.313 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.606 ' HE1' ' HB ' ' A' ' 41' ' ' ILE . 31.9 m-85 53.49 -161.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.057 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.406 ' HB3' HG12 ' A' ' 49' ' ' ILE . 39.3 t -140.17 150.14 43.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.5 -30.4 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.0 110.815 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 24.5 m -63.85 -28.82 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.986 177.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 46' ' ' SER . 49.6 mm -73.15 -46.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -61.57 -34.45 75.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 71.2 t80 -59.45 -55.18 37.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.8 mt -58.37 -43.53 88.47 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.98 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 29' ' ' ILE . 26.6 tt0 -53.58 -51.09 64.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.344 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 -39.01 83.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 25.5 mm-40 -63.64 -55.51 23.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.2 p -66.97 -33.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.857 0.36 . . . . 0.0 110.604 -176.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.02 -47.81 83.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -82.47 -6.74 59.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.94 31.31 23.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.91 -41.22 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.28 0.562 . . . . 0.0 109.75 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.8 pt -122.32 161.34 23.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.08 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -81.2 160.51 24.3 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.266 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.8 tpt -65.23 -37.5 87.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 139' ' ' GLU . 13.0 tmtt? -59.13 -37.89 78.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.426 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.55 -34.32 65.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.1 t80 -60.88 -47.39 86.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.77 -48.47 88.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.992 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HB2' HG11 ' A' ' 128' ' ' VAL . 1.5 ttm-85 -59.88 -42.84 94.64 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -70.97 -41.07 71.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.769 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD13 ' HE1' ' A' ' 37' ' ' PHE . 71.5 mt -60.62 -49.16 78.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 111.323 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.27 63.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.47 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.27 -9.6 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.107 0.48 . . . . 0.0 110.412 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.3 m -70.56 144.95 92.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.26 -30.28 71.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.149 2.566 . . . . 0.0 112.17 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD21 HG21 ' A' ' 41' ' ' ILE . 32.2 tp -55.2 -53.46 55.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HE1' ' HA ' ' A' ' 37' ' ' PHE . 32.0 t80 -71.09 -34.57 71.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 0.0 110.635 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.79 ' HG2' HD23 ' A' ' 120' ' ' LEU . 43.9 mtp180 -69.64 -25.97 64.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.181 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 9.8 mmmm -77.15 -11.61 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.83 -61.0 1.52 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.699 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.495 ' HZ ' ' HG3' ' A' ' 38' ' ' GLU . 12.2 m-85 -95.8 62.73 2.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.641 -175.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' HB2' HD22 ' A' ' 120' ' ' LEU . 73.0 t80 -178.49 -64.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 19.5 tt0 -67.45 -48.65 44.68 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -172.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 6.7 Cg_exo -76.23 10.19 2.2 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.258 1.972 . . . . 0.0 112.595 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -130.17 176.17 8.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 88' ' ' ARG . 32.4 pt -89.65 149.97 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.54 -39.61 77.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.27 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 t -58.63 -39.57 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 25.5 ttt180 -87.1 -32.07 20.11 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.797 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.16 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.117 0.484 . . . . 0.0 109.914 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.583 HD12 HD21 ' A' ' 123' ' ' LEU . 30.6 tp -56.92 -48.43 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.961 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 33.2 tt0 -64.17 -40.68 96.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.559 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.8 mt -61.39 -37.78 84.66 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.124 0.488 . . . . 0.0 110.871 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.03 83.75 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.427 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.585 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 34.9 m-85 -57.54 -39.92 77.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.533 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 90.2 mtt180 -58.89 -50.07 75.38 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -84.28 -36.43 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.7 mt -83.78 -49.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.0 -8.16 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.52 43.87 98.36 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.292 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 27.7 ttt-85 -159.29 114.91 2.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.461 -0.199 . . . . 0.0 110.461 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.61 143.64 30.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.551 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 108' ' ' VAL . 56.4 Cg_endo -72.11 99.36 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -82.48 -33.61 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.3 m -84.88 131.12 34.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -63.59 -36.3 83.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.687 0.28 . . . . 0.0 110.649 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.53 -35.35 79.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.313 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.29 -44.36 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.615 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 102' ' ' PRO . 71.7 t -58.81 -53.69 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.13 -30.69 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.17 -58.28 9.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 95.7 m-85 -74.15 -23.94 59.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' HG12 ' A' ' 115' ' ' VAL . 90.2 t80 -61.15 -36.48 79.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.5 . . . . 0.0 109.833 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -68.0 -29.89 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.474 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.83 -46.72 34.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 112' ' ' PHE . 11.0 p -70.93 -22.54 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.569 -176.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 p -85.16 -53.9 4.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.312 . . . . 0.0 111.267 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -75.82 -46.84 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.555 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.24 -47.94 4.76 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.76 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.57 173.97 14.34 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.79 HD23 ' HG2' ' A' ' 77' ' ' ARG . 46.4 tp -63.09 -46.31 86.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.486 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -52.95 -37.82 78.68 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.096 1.864 . . . . 0.0 112.229 176.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.84 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.575 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.583 HD21 HD12 ' A' ' 90' ' ' LEU . 41.9 tp -58.92 -54.21 49.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.41 -42.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.894 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.55 -41.91 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.566 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.63 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.187 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 91.8 mt -69.1 -52.01 32.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 68' ' ' ARG . 46.6 t -69.63 -36.31 70.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.808 0.337 . . . . 0.0 111.567 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.17 31.2 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.313 0.577 . . . . 0.0 110.906 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 133' ' ' TYR . 24.3 p -76.2 139.52 41.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.02 -45.72 86.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.893 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.71 -45.87 81.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.64 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.425 ' HB3' ' OG ' ' A' ' 130' ' ' SER . 70.5 t80 -64.79 -46.07 83.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.045 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.0 -49.08 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.693 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.23 -30.71 54.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -72.2 -48.97 39.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.165 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -88.56 -40.81 13.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.863 -169.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.04 -168.51 23.46 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.65 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 pt-20 -117.72 -1.19 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 141' ' ' THR . 6.0 pt-20 -93.03 -45.22 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 140' ' ' GLU . 4.1 m -79.19 155.56 28.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -168.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.2 t -95.2 122.55 59.52 Favored Pre-proline 0 CA--C 1.53 0.211 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.09 142.4 50.77 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.66 2.24 . . . . 0.0 113.569 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.514 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 15.1 p90 -156.38 -169.36 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.904 175.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.07 -20.76 64.34 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -132.86 -173.98 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 176.27 -95.81 0.1 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.1 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.98 117.94 5.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.76 103.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -124.29 94.63 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.98 149.18 35.95 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 166.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -72.14 106.07 4.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.041 0.448 . . . . 0.0 110.587 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -79.82 121.7 25.71 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -45.2 -58.34 3.32 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.759 0.662 . . . . 0.0 110.711 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.737 171.696 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.474 0.38 0 N-CA-C 110.617 -0.57 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -90.7 -9.03 48.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 110.941 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.568 ' HB3' ' HA ' ' A' ' 6' ' ' ASN . 13.8 t -147.07 155.12 41.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.703 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -68.42 -30.96 69.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.429 0.633 . . . . 0.0 109.557 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.35 -43.97 14.22 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.568 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 9.3 t30 71.48 -48.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.348 -1.297 . . . . 0.0 111.19 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.62 100.09 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 79.29 2.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.845 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.3 -176.68 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.462 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.33 117.13 28.82 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.93 75.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.581 0.705 . . . . 0.0 111.459 -177.362 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.78 114.16 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.203 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 144' ' ' TYR . 30.4 mtpp -144.14 163.07 34.65 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.705 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 144' ' ' TYR . 59.2 m-85 -70.9 99.07 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.207 0.527 . . . . 0.0 110.15 174.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.48 125.13 26.78 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.344 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.5 ttm -80.38 94.79 6.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.399 0.618 . . . . 0.0 110.705 -175.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 62.6 mttm -95.9 145.91 30.38 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.15 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.14 112.07 1.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.614 2.209 . . . . 0.0 110.926 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.88 7.71 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.309 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.84 146.95 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.586 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 4.2 m -63.57 150.72 43.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.119 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.59 72.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.503 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.68 -35.75 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 49.7 mt-10 -71.92 -41.23 68.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.007 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 93.7 mttt -58.15 -44.39 87.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.401 175.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -59.46 -42.0 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.5 85.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.175 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.2 t -57.68 -45.35 86.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.589 HD13 ' HG3' ' A' ' 53' ' ' GLU . 74.3 mt -65.69 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 33' ' ' TYR . 38.4 ttpt -68.68 -33.81 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 0.0 110.592 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.28 84.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.446 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.28 82.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 29.0 m-85 -54.74 -53.43 55.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 48.9 mtm180 -70.25 -22.41 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.591 -173.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.512 ' HG2' ' HB2' ' A' ' 144' ' ' TYR . 63.1 tp60 -89.18 -42.61 11.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.65 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 mm -75.68 -48.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.632 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -82.67 -29.15 30.17 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.753 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.1 mt-10 55.47 29.47 13.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.992 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -164.58 177.44 8.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.872 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.28 147.91 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -91.23 159.14 2.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.97 0.414 . . . . 0.0 111.727 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.45 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m -53.57 115.17 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.997 -170.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 49.58 -95.94 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.864 0.865 . . . . 0.0 112.865 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.83 47.18 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.515 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CE1' ' HB ' ' A' ' 42' ' ' THR . 1.6 m-30 -53.96 112.62 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 17.9 t -162.87 -151.01 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 71.36 -74.03 0.09 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.698 0.624 . . . . 0.0 110.087 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -68.17 -40.7 82.21 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 61.4 mt -67.52 -44.29 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.943 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 p -66.9 -32.04 73.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -62.08 -45.2 94.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.953 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.97 -45.55 81.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.589 ' HG3' HD13 ' A' ' 29' ' ' ILE . 38.2 tt0 -58.21 -42.2 85.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -55.32 -49.69 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.606 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.1 p -78.08 -37.5 22.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.09 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 57' ' ' ARG . 18.3 ttm180 -66.09 -30.23 70.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 110.552 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -74.17 -18.85 60.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.36 21.08 55.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.775 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.77 -36.02 18.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.683 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 pt -116.09 157.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.814 0.34 . . . . 0.0 110.449 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 13.0 m -72.41 146.45 46.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -33.86 76.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.452 0.644 . . . . 0.0 109.424 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 128' ' ' VAL . 18.5 tptm -53.06 -42.04 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.763 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 7.5 tp10 -68.38 -42.5 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.566 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.09 -42.05 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 143' ' ' PRO . 61.3 t -63.36 -44.37 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.262 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB2' HG11 ' A' ' 128' ' ' VAL . 39.5 ttp180 -59.14 -38.09 78.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.744 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HD3' ' HE2' ' A' ' 72' ' ' LYS . 12.1 mmt180 -64.46 -45.78 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.24 -41.02 97.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.006 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.455 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -69.8 -29.69 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.349 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.599 ' HE2' ' HD3' ' A' ' 69' ' ' ARG . 65.9 pttt -96.23 10.96 36.17 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.08 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 m -74.51 144.09 80.25 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.431 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 87.7 Cg_exo -48.63 -41.03 38.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.522 2.815 . . . . 0.0 113.457 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.25 -36.72 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 111.011 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -73.11 -24.26 60.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 120' ' ' LEU . 78.3 mtp180 -82.83 -29.65 29.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.871 175.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 74.4 mmtt -71.79 -32.64 67.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.479 . . . . 0.0 109.912 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -96.35 -175.97 3.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.9 t80 68.11 -70.12 0.13 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.56 -16.77 53.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.455 . . . . 0.0 111.116 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.601 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -75.13 -51.38 3.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.666 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 3.1 Cg_exo -78.44 -23.19 8.83 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 0.0 112.513 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.84 114.19 22.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.1 pt -66.72 172.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.02 -43.86 19.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.016 0.526 . . . . 0.0 111.553 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -59.63 -31.25 69.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.351 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -103.97 -29.72 10.75 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.886 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.12 78.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 111' ' ' TYR . 39.2 tp -61.05 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.67 -48.95 77.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.373 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 80' ' ' PHE . 1.5 tt -64.45 -44.39 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB2' ' HZ ' ' A' ' 80' ' ' PHE . . . -63.59 -46.8 84.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.352 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.58 -49.28 76.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 110.264 -178.745 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 95' ' ' ARG . 10.5 ttm180 -68.76 -29.44 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.04 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 36' ' ' ILE . 5.7 t-80 -76.97 -30.59 56.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.495 -175.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 127' ' ' LEU . 70.9 mt -93.4 -51.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.436 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 127' ' ' LEU . 77.7 mt -94.92 -25.61 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.45 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.67 -4.71 79.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.407 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 43.9 ttt85 -114.43 140.33 48.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.26 155.26 21.35 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.491 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.11 129.61 33.94 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.673 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 t -123.21 -38.43 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 1.2 m -87.95 136.54 32.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -67.06 -35.58 80.16 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.542 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -78.21 -31.69 49.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.664 ' HB3' ' HB2' ' A' ' 104' ' ' SER . 27.5 tt0 -59.9 -47.44 85.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.029 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 104' ' ' SER . 92.3 t -57.67 -54.63 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.669 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -57.16 -36.54 70.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.702 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 114' ' ' ILE . 61.6 tttm -59.51 -59.88 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.433 . . . . 0.0 110.597 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 90' ' ' LEU . 92.7 m-85 -72.99 -28.12 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.562 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.58 -38.95 93.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.034 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -70.25 -31.85 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.083 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 110' ' ' LYS . 77.2 mt -66.39 -47.58 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.529 ' HB ' HD22 ' A' ' 123' ' ' LEU . 15.0 p -72.05 -29.06 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.437 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.7 m -83.18 -45.3 14.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.628 0.252 . . . . 0.0 111.428 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 t -80.85 -46.06 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 -177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.6 -60.06 1.94 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.83 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.35 174.27 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.289 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.585 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 61.1 tp -60.1 -49.99 88.34 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.561 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -56.74 -31.59 88.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 121.945 1.763 . . . . 0.0 112.172 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.99 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.529 HD22 ' HB ' ' A' ' 115' ' ' VAL . 54.7 tp -61.34 -48.24 82.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -58.26 -45.67 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.301 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.93 -42.59 99.28 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.775 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.6 75.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.521 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 97' ' ' ILE . 99.1 mt -84.09 -31.67 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.829 0.347 . . . . 0.0 111.864 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.4 t -85.44 -42.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.89 -30.22 61.24 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 p -58.49 127.39 31.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.162 0.506 . . . . 0.0 111.37 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 50.6 tp60 -63.35 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.357 -174.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.38 -52.58 64.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.685 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 137' ' ' PHE . 21.6 m-85 -77.74 -22.29 50.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -69.34 -51.61 35.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.13 0.49 . . . . 0.0 110.745 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.78 -51.59 57.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.381 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -75.94 -25.68 56.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -172.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 57.6 m-85 -90.71 -40.95 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.113 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.94 131.04 7.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.707 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 20.5 mm-40 -79.1 -19.11 52.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.791 0.329 . . . . 0.0 111.252 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -84.86 -13.55 50.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 0.0 110.072 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.1 m -84.65 144.05 28.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.141 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.48 ' O ' ' HD1' ' A' ' 144' ' ' TYR . 40.9 t -88.19 127.53 56.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.586 172.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.601 ' HD2' HG21 ' A' ' 67' ' ' VAL . 60.6 Cg_endo -74.15 63.39 5.18 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 174.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.512 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 11.1 p90 -101.92 146.08 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.387 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 81.8 mt -92.41 81.18 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -178.14 175.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.83 72.6 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.573 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.41 90.94 3.35 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.736 -0.273 . . . . 0.0 110.822 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 52.09 90.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.961 0.788 . . . . 0.0 113.073 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -89.25 123.55 33.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -58.33 130.38 46.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.252 0.549 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.33 177.2 8.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -67.78 -77.12 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.872 0.306 . . . . 0.0 111.723 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -86.33 128.67 34.96 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.177 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.159 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.478 0.562 0 N-CA-C 110.328 -0.681 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -86.73 148.45 25.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -100.95 148.7 24.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -125.06 133.36 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -85.15 -19.98 30.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t30 64.99 106.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.916 0.76 . . . . 0.0 110.485 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.3 117.3 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.371 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.71 133.74 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.16 167.22 13.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.33 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -89.33 99.81 12.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.981 0.42 . . . . 0.0 110.85 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 11' ' ' ARG . 26.1 ttt180 -148.77 27.92 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -83.05 177.09 8.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.665 -175.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.634 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -76.76 178.65 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.886 -176.739 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HB3' HG13 ' A' ' 28' ' ' VAL . 96.6 m-85 -79.86 118.86 22.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 109.866 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.634 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . . . -145.4 151.4 38.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.533 ' SD ' HG22 ' A' ' 56' ' ' VAL . 51.7 ttm -113.15 112.8 24.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.103 0.478 . . . . 0.0 110.835 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -135.87 154.62 77.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.372 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.59 127.23 25.31 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.48 2.12 . . . . 0.0 111.712 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.95 25.62 5.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.402 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -117.66 147.39 42.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.646 0.26 . . . . 0.0 110.389 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.7 m -73.85 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.78 -38.7 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.2 tp10 -61.89 -53.3 57.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.8 mttt -61.3 -42.23 98.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.281 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -54.84 -42.84 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.55 83.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' GLU . 89.5 t -61.51 -43.18 96.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.925 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.563 HG21 ' HG3' ' A' ' 53' ' ' GLU . 77.2 mt -63.56 -45.81 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.965 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.9 -34.47 78.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.153 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.29 86.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.0 -55.65 32.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.711 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -58.31 -32.12 68.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.72 -29.47 62.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' A' ' 144' ' ' TYR . 65.2 mt-30 -105.46 -30.12 9.77 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.89 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 143' ' ' PRO . 36.2 mm -67.62 -40.67 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.591 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.42 -10.57 19.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.5 8.78 4.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -162.72 166.96 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.19 176.04 10.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.073 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -133.03 161.17 42.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.092 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 t -70.42 153.33 43.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.292 0.568 . . . . 0.0 111.814 -173.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.05 5.05 4.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.097 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.09 -24.61 63.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.222 0.534 . . . . 0.0 110.016 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -108.38 130.1 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -150.64 -35.4 0.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.623 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -60.91 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.826 -175.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -61.13 -30.26 70.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.257 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.1 -57.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -67.41 -22.24 65.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 44.6 t80 -62.68 -54.95 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.478 HD22 ' HD3' ' A' ' 69' ' ' ARG . 88.2 mt -65.49 -38.01 88.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.576 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.563 ' HG3' HG21 ' A' ' 29' ' ' ILE . 36.0 tt0 -59.87 -44.7 94.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.841 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -66.21 -31.67 72.64 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.108 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 74.6 mt-30 -63.83 -53.19 54.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.531 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG22 ' SD ' ' A' ' 16' ' ' MET . 10.8 p -69.0 -36.64 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.78 -41.23 97.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.13 -33.75 76.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.525 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.12 14.47 20.57 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.666 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.17 -40.47 90.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.276 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 65' ' ' GLU . 30.3 pt -135.28 154.67 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -95.22 -175.47 3.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.0 mmt -68.83 -33.46 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 78.8 tttt -54.36 -53.12 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 0.0 109.794 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 16.8 tp10 -67.08 -39.96 86.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.782 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.71 -48.67 79.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.28 -44.29 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.992 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 128' ' ' VAL . 23.7 ttp85 -60.05 -44.49 94.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.277 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' HD3' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.36 -39.91 92.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.205 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.1 -49.75 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.401 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -76.34 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 9.9 ttpp -90.8 4.99 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.505 . . . . 0.0 110.467 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -77.42 142.6 67.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.239 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.91 -31.82 75.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.324 2.683 . . . . 0.0 112.418 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.3 -41.12 98.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.591 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -74.0 -24.3 59.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.154 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.1 ttt180 -80.34 -29.99 38.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.029 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -85.13 -37.74 19.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.617 ' HA ' ' HD1' ' A' ' 84' ' ' PHE . 54.3 m-85 67.8 -61.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.782 0.676 . . . . 0.0 111.95 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.82 -33.67 73.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.936 0.494 . . . . 0.0 112.218 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -96.02 -49.03 0.25 Allowed Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 33.9 Cg_exo -62.54 -33.81 77.27 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.1 1.867 . . . . 0.0 112.694 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 80' ' ' PHE . 89.0 m-85 -106.18 166.06 10.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.417 HG23 ' H ' ' A' ' 88' ' ' ARG . 13.5 tt -74.73 148.4 7.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -51.9 -37.87 54.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.839 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 m -63.54 -31.16 72.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.898 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' H ' HG23 ' A' ' 85' ' ' ILE . 16.1 tpt180 -85.92 -34.34 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.93 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.487 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 123' ' ' LEU . 44.2 tp -59.33 -51.41 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.61 -43.05 93.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.464 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.5 -38.39 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.923 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.38 81.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.528 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' A' ' 98' ' ' LEU . 52.1 m-85 -57.84 -46.71 84.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.097 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -65.02 -28.32 69.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -83.77 -35.36 24.41 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.945 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 127' ' ' LEU . 71.8 mt -94.25 -50.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.622 -175.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD12 ' HD1' ' A' ' 94' ' ' PHE . 82.6 mt -89.87 -12.71 38.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 110.548 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.78 0.66 89.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.669 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -154.36 150.63 28.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.79 -178.32 40.62 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.939 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -61.15 150.77 82.88 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.074 2.516 . . . . 0.0 112.552 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -95.0 -38.26 10.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.213 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.9 t -130.3 155.5 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.06 -21.35 59.05 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.773 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -61.99 -43.01 99.75 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.04 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.275 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 104' ' ' SER . 82.6 t -58.27 -59.2 3.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.19 -36.72 78.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.403 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.43 -51.79 68.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -83.51 -19.69 35.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.535 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -67.49 -34.55 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.2 t -64.53 -42.94 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.38 -45.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 123' ' ' LEU . 10.9 p -71.95 -24.25 22.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.185 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.3 m -84.54 -27.31 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.334 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.4 t -97.28 -63.68 1.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.12 -33.98 38.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.3 179.57 20.13 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.287 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 37.4 tp -62.23 -48.29 88.0 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.496 -0.288 . . . . 0.0 111.694 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.9 Cg_exo -55.51 -33.28 85.83 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.984 1.789 . . . . 0.0 112.5 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.49 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 90' ' ' LEU . 59.1 tp -61.18 -48.22 82.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.082 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 71' ' ' ALA . 84.5 t -57.38 -44.2 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.452 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.06 -49.79 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.794 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.41 -33.27 73.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.733 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 97' ' ' ILE . 93.3 mt -81.96 -42.76 18.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.565 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.8 t -74.67 -35.96 39.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.074 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 29.8 t70 -87.29 14.89 7.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.77 0.795 . . . . 0.0 110.337 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -72.89 106.56 4.86 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 17.1 mm100 -68.27 -11.99 60.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.274 -177.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.42 -51.51 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.544 0.688 . . . . 0.0 109.226 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -66.79 -41.39 87.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.964 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.515 ' O ' ' HA2' ' A' ' 138' ' ' GLY . . . -67.5 -24.1 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.774 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.68 -48.32 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.004 0.43 . . . . 0.0 111.077 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -65.69 -49.93 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.486 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -98.36 -41.55 7.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 134' ' ' ALA . . . 107.87 146.43 12.51 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.081 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.738 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 9.8 pt-20 -77.07 -5.07 47.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.128 0.49 . . . . 0.0 110.717 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -84.06 -15.57 46.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.67 176.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.518 HG23 ' HG3' ' A' ' 13' ' ' LYS . 86.5 m -90.47 140.62 29.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.337 -169.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.36 121.84 68.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.43 172.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.606 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.2 Cg_endo -54.12 111.75 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.564 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.9 p90 -116.66 134.49 54.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.26 -13.1 60.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.466 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 69.0 14.17 8.83 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.21 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.4 -123.66 10.4 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.096 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 148' ' ' LEU . 0.7 OUTLIER 56.62 75.46 0.35 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 122.07 0.938 . . . . 0.0 110.005 -174.45 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.19 -39.13 1.37 Allowed 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.291 -177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -69.07 120.39 14.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.864 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.09 -48.44 76.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 0.0 110.243 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -85.99 173.34 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -98.67 -112.05 0.16 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.706 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 54.6 65.01 1.62 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -169.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.09 -172.819 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo . . . . . 0 N--CA 1.474 0.34 0 N-CA-C 110.614 -0.571 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -135.42 135.2 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.577 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -77.94 -5.77 52.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 110.101 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.17 96.97 10.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.186 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -104.42 -36.38 7.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.674 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.3 t30 60.1 94.07 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.08 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.55 23.75 13.22 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.865 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.26 107.96 2.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.462 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' C ' ' HG2' ' A' ' 10' ' ' LYS . . . -173.2 136.32 0.63 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 9' ' ' ALA . 32.9 pttt 49.94 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.03 116.2 18.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.12 0.486 . . . . 0.0 111.813 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' NE2' ' H ' ' A' ' 9' ' ' ALA . 1.9 mp0 -102.49 -166.59 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.266 174.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -113.53 154.78 26.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.56 ' HB3' HG13 ' A' ' 28' ' ' VAL . 97.2 m-85 -86.64 121.64 29.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.881 0.372 . . . . 0.0 110.313 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.77 144.07 30.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 13.2 mmt -100.39 105.14 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -135.3 147.29 61.52 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.812 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.65 107.61 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.435 2.09 . . . . 0.0 111.03 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 55.48 0.13 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.79 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.25 156.95 45.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.518 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 5.8 m -81.92 162.21 22.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.357 177.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.31 83.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.73 -36.33 83.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 45.5 mt-10 -66.13 -48.14 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.14 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 29' ' ' ILE . 94.7 mttt -62.43 -42.37 99.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.753 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.48 -41.5 76.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.8 81.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 14' ' ' TYR . 64.7 t -67.3 -48.23 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 25' ' ' LYS . 59.6 mt -57.97 -48.69 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.346 -176.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 93.3 mttt -68.85 -32.74 72.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.218 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.38 -50.83 72.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.935 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.446 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 49.5 m-85 -53.54 -43.1 68.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 76.5 mtt180 -60.99 -47.37 86.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.026 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -89.54 -25.32 21.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.4 mm -69.42 -44.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.75 -6.36 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 61.31 20.75 11.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.412 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -161.43 158.12 26.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.9 130.94 34.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.104 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.6 pt -79.82 154.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.87 163.06 27.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.187 -174.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.17 -38.9 68.91 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -15.28 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.62 94.63 9.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 81.4 p -167.81 -146.68 0.07 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.757 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 67.51 -83.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.506 0.722 . . . . 0.0 110.598 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -67.98 -33.28 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.64 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 56.6 mt -68.05 -47.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.462 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 9.1 p -70.82 -21.78 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.0 t80 -63.01 -49.8 73.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -37.77 85.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.092 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -56.73 -45.34 81.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.009 175.32 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.2 m -73.26 -25.93 60.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 16.4 mm100 -64.83 -47.13 79.11 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.733 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.89 -30.92 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.601 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.3 ttp180 -68.1 -33.99 75.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.114 0.483 . . . . 0.0 110.269 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.46 -30.83 70.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.06 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.3 13.17 56.4 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.3 -37.25 66.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 110.125 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 pt -114.73 156.62 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.396 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.5 p -87.32 166.45 14.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 1.9 tpt -62.09 -36.33 81.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.255 0.55 . . . . 0.0 109.855 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 32.2 tptt -64.02 -49.09 73.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.871 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.03 -35.39 80.42 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 64.3 t80 -59.66 -45.88 90.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.365 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 63' ' ' MET . 88.1 t -59.43 -44.22 92.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 176.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 128' ' ' VAL . 9.4 ttp180 -61.06 -46.84 89.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.955 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -62.63 -30.57 71.45 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.8 mt -71.44 -53.0 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.3 -12.6 60.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.863 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.611 ' HG3' ' HA ' ' A' ' 121' ' ' PRO . 80.3 tttt -93.52 1.59 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.451 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 63.4 m -97.94 157.39 34.66 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 111.778 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 11.5 Cg_endo -55.38 -26.25 52.14 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.809 3.006 . . . . 0.0 113.981 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.26 -42.99 96.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.659 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 65.1 t80 -72.92 -29.76 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.423 0.63 . . . . 0.0 109.566 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -67.9 -50.29 57.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.84 -54.18 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.417 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -86.56 10.35 15.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 73.8 m-85 -132.47 -65.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.32 -28.84 62.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.6 tt0 -66.65 -53.74 26.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.247 -177.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 62.6 Cg_endo -77.1 -39.89 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.678 1.586 . . . . 0.0 112.587 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 88' ' ' ARG . 66.4 m-85 -101.31 113.8 27.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.27 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.0 pt -67.9 -177.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -172.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -41.83 -54.14 3.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.759 -1.11 . . . . 0.0 113.643 -170.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -63.14 -31.78 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -173.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.536 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 72.3 mtt-85 -80.69 -36.15 32.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.7 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.716 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.22 -48.37 81.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.51 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -54.16 46.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.403 HD13 ' HD1' ' A' ' 80' ' ' PHE . 96.0 mt -63.18 -39.32 94.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.597 -176.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.99 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.97 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.405 ' HZ ' ' CD2' ' A' ' 111' ' ' TYR . 8.2 m-85 -58.37 -37.55 75.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.539 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.437 ' HB3' HD21 ' A' ' 145' ' ' LEU . 48.3 mtt180 -79.52 -15.98 56.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.876 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.3 -44.51 7.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.75 0.309 . . . . 0.0 110.98 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 124' ' ' VAL . 92.7 mt -73.8 -40.98 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.15 0.5 . . . . 0.0 111.48 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 133' ' ' TYR . 71.7 mt -116.67 -23.98 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.413 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.1 27.88 73.42 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -171.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -112.77 -76.66 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.858 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 -178.08 16.45 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.546 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.91 106.06 1.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.36 2.04 . . . . 0.0 111.895 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -57.37 -69.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.991 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 m -139.76 179.05 6.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.427 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 105' ' ' ARG . 17.2 ptt180 -57.48 -45.55 84.73 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -172.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 105' ' ' ARG . 41.0 mt-10 -68.67 -34.73 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.054 -176.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 6.0 mp0 -63.24 -44.56 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' SER . 97.6 t -57.23 -56.23 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.419 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.954 -176.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.06 -57.56 12.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.71 0.29 . . . . 0.0 111.127 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 83.4 m-85 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.434 -175.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HA ' HG12 ' A' ' 115' ' ' VAL . 92.5 t80 -62.2 -38.98 91.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 110.04 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.0 m -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -45.71 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.737 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.507 ' O ' ' HA2' ' A' ' 119' ' ' GLY . 8.4 p -72.92 -18.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.985 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -84.99 -43.25 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.721 0.296 . . . . 0.0 110.243 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -72.55 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.66 -44.1 4.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.959 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . 114.23 -165.22 12.04 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.983 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.45 -49.03 96.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.611 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 82.6 Cg_exo -48.67 -40.16 38.18 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 122.125 1.883 . . . . 0.0 112.681 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.66 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.772 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.407 HD22 ' HB ' ' A' ' 115' ' ' VAL . 60.6 tp -59.34 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.121 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.423 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 93.2 t -62.15 -43.13 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.931 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.61 -35.24 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 68' ' ' ARG . 64.6 t -83.95 -40.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.784 -0.367 . . . . 0.0 111.911 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.44 -17.83 60.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 t -67.39 127.39 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -56.74 -36.51 69.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.695 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.9 mp0 -59.58 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.603 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 35.3 m-85 -74.77 -23.02 58.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.876 -177.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.843 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -75.36 -44.64 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.99 -58.99 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.872 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.35 -34.33 76.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.779 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.603 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 93.4 m-85 -96.22 3.21 53.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 135.92 0.88 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.151 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.605 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 9.3 pt-20 -104.72 -15.9 15.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 174.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.11 -43.99 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 8.0 m -88.1 147.85 24.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.173 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.453 HG22 ' SD ' ' A' ' 63' ' ' MET . 15.3 t -73.55 128.48 87.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.75 126.7 21.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.897 2.398 . . . . 0.0 112.776 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -116.91 136.36 53.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.501 . . . . 0.0 111.383 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 95' ' ' ARG . 5.1 mp -93.44 -7.79 43.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.48 ' HG2' ' OE1' ' A' ' 149' ' ' GLU . 65.1 mtt-85 -59.72 111.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.158 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 124.91 -39.74 2.04 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.3 tt -100.05 -19.49 16.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.48 ' OE1' ' HG2' ' A' ' 146' ' ' ARG . 7.2 pt-20 -64.01 93.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.511 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -143.25 145.33 32.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.41 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -85.16 132.55 34.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -52.22 137.68 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.747 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.71 -164.54 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.979 -171.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -41.84 121.75 1.86 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.056 0.848 . . . . 0.0 112.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.492 176.283 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.477 0.554 0 N-CA-C 111.392 -0.272 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 56.95 80.63 0.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.661 0.6 . . . . 0.0 109.841 -175.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 m 61.13 89.75 0.07 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.196 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -74.36 151.93 39.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.307 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -99.6 -66.17 0.92 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -171.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.9 m120 55.83 67.9 0.94 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.86 169.55 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 10' ' ' LYS . . . -83.87 -71.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.172 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.03 -10.64 0.16 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.654 0.782 . . . . 0.0 112.593 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 8' ' ' ALA . 40.8 mtmt -84.6 84.04 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.2 0.524 . . . . 0.0 111.277 -176.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 11' ' ' ARG . 36.4 ttp-105 -164.52 148.54 9.35 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -75.85 151.36 37.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.372 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.99 -151.98 0.48 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.121 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG22 ' A' ' 28' ' ' VAL . 91.2 m-85 -63.78 140.31 58.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.984 0.421 . . . . 0.0 111.316 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . . . -147.26 142.81 27.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.104 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mmt -82.41 98.65 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 111.205 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' A' ' 15' ' ' ALA . 89.4 mttt -122.71 137.04 27.33 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.41 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.4 Cg_exo -71.45 113.29 3.57 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.837 2.358 . . . . 0.0 110.926 171.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.7 -0.81 5.9 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.08 156.24 18.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.681 0.277 . . . . 0.0 110.413 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -67.84 157.35 35.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.185 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.19 95.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.895 0.378 . . . . 0.0 110.978 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.44 -31.1 71.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.2 tp10 -67.55 -48.81 65.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.64 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.33 -44.49 84.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.292 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.09 -41.64 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.77 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.808 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 24' ' ' GLU . 58.1 t -56.34 -44.29 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.599 HG21 ' HG2' ' A' ' 53' ' ' GLU . 63.5 mt -63.87 -51.25 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.589 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.5 -31.51 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.81 0.338 . . . . 0.0 110.641 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.98 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.63 -47.67 82.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' HE2' ' A' ' 37' ' ' PHE . 44.8 m-85 -61.05 -44.65 97.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HD2' ' O ' ' A' ' 39' ' ' ARG . 27.4 tpt180 -53.77 -45.05 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.527 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -87.82 -44.01 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.369 -0.378 . . . . 0.0 112.007 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 67' ' ' VAL . 20.6 mt -70.38 -43.24 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.599 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' HE2' ' HD1' ' A' ' 33' ' ' TYR . 92.6 m-85 -84.27 -9.06 58.81 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.031 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 61.09 25.49 15.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.928 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.555 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 16.6 ttm180 -150.4 -91.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.89 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 32.3 t70 162.98 144.26 0.01 OUTLIER 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 -177.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 pt -102.25 156.43 4.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.821 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.489 ' HG1' ' HD1' ' A' ' 45' ' ' TYR . 6.8 m -67.62 143.81 55.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.875 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -66.45 -14.77 62.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.913 0.387 . . . . 0.0 111.234 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.11 31.0 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.196 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 5.0 t80 -80.01 82.44 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 m 68.64 146.49 0.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.417 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -81.74 -25.24 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.008 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 t -65.09 -39.2 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.255 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -67.56 -41.02 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 p -74.08 -26.14 60.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.674 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.12 -40.17 96.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.281 0.562 . . . . 0.0 109.658 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' SER . 69.1 mt -63.8 -38.39 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.799 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -63.19 -49.69 73.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.55 177.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -51.32 -42.63 61.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -64.65 -46.31 83.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.979 -178.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.21 -29.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.657 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -47.7 80.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.044 0.45 . . . . 0.0 109.983 175.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.1 -29.39 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.141 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.7 27.99 11.94 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.021 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.79 -35.71 38.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 pt -116.6 149.26 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.626 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -76.98 165.15 25.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 142' ' ' VAL . 2.5 ttm -71.32 -28.12 63.87 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.178 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HE2' ' NH2' ' A' ' 68' ' ' ARG . 1.4 tmtp? -63.53 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.11 -45.75 76.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 110.127 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.03 -48.17 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.12 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 HD11 ' A' ' 36' ' ' ILE . 78.0 t -59.73 -47.37 91.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.123 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 125' ' ' ASP . 11.7 ttm-85 -61.59 -39.42 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.281 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HD2' HD22 ' A' ' 52' ' ' LEU . 19.2 ttm180 -72.2 -36.3 69.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.802 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.48 -40.69 63.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.048 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 124' ' ' VAL . . . -76.21 -17.53 59.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.524 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' A' ' 125' ' ' ASP . 44.6 mtpt -103.04 17.58 23.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.636 0.255 . . . . 0.0 110.846 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -74.39 151.84 87.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.353 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.58 -33.91 80.65 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.85 2.367 . . . . 0.0 112.095 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.8 tp -67.53 -49.85 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.962 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.73 -37.08 86.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.379 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HA ' HD23 ' A' ' 120' ' ' LEU . 75.9 ttt180 -67.71 -29.97 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.925 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -77.85 -17.49 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.229 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.3 mm-40 -95.94 143.08 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.688 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.466 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 70.3 m-85 68.39 -60.44 0.42 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.658 0.783 . . . . 0.0 112.88 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' A' ' 120' ' ' LEU . 82.5 t80 -62.94 -33.02 74.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.708 0.29 . . . . 0.0 111.749 -174.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.4 tm-20 -78.3 -57.68 0.88 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.392 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 46.9 Cg_endo -69.81 -39.44 6.41 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.852 1.701 . . . . 0.0 113.65 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.466 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 99.1 m-85 -97.41 165.13 12.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.765 0.317 . . . . 0.0 110.695 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -77.27 149.13 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.302 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -52.85 -36.6 59.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.886 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -64.47 -22.28 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.728 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.64 -36.74 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.8 86.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.385 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 48.0 tp -56.74 -50.93 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.87 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.82 -46.49 89.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.54 -40.32 96.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.64 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.36 69.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.026 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.477 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 30.5 m-85 -56.24 -45.39 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.52 -37.28 77.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.752 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -76.75 -30.79 56.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -96.08 -48.78 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.678 0.275 . . . . 0.0 111.598 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.45 -25.99 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.444 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.763 ' HA2' ' HG ' ' A' ' 145' ' ' LEU . . . 96.43 5.04 59.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.913 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -138.42 -70.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.321 0.582 . . . . 0.0 110.615 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 141.94 -149.55 21.26 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -174.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HB3' HG22 ' A' ' 108' ' ' VAL . 15.9 Cg_exo -69.52 132.03 22.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.752 2.302 . . . . 0.0 112.152 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -81.3 -39.76 24.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.483 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 108' ' ' VAL . 64.6 p -146.41 163.95 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.559 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -72.81 -21.86 60.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.791 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -75.65 -36.9 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.96 -39.56 90.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 104' ' ' SER . 94.5 t -55.51 -52.23 49.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.288 174.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.63 -35.32 80.63 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.67 -177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -61.76 -47.85 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.479 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.1 m-85 -81.58 -19.56 41.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.378 . . . . 0.0 110.056 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -71.31 -29.52 65.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.916 0.389 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.9 mt -68.53 -50.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.99 -23.59 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.3 t -84.83 -18.63 34.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.603 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.8 t -85.59 -50.21 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.96 -37.17 2.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.542 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.33 -165.58 13.73 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 36.9 tp -60.34 -49.42 90.52 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.477 -0.297 . . . . 0.0 111.647 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 71.5 Cg_exo -51.61 -39.08 66.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.086 1.857 . . . . 0.0 112.77 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.7 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.51 -52.04 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 71' ' ' ALA . 75.2 t -58.91 -46.89 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.053 -178.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.694 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 23.1 t70 -58.83 -47.33 85.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.614 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.22 75.84 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 111.368 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.01 -54.78 15.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 53.6 t -66.41 -35.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.0 111.022 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.71 -37.57 76.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.036 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.1 p -46.33 124.01 5.33 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 112.514 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 89.8 mm-40 -72.51 -19.39 61.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.68 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.83 -52.42 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 143' ' ' PRO . 29.2 t80 -67.4 -38.49 84.76 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.833 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -64.83 -32.67 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.748 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -80.57 -30.78 36.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -75.26 -47.25 28.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.263 -176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.18 -40.25 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 111.517 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.97 174.55 19.66 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.116 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 12.6 pt-20 -90.71 -9.78 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.337 0.589 . . . . 0.0 110.104 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 7.2 pt-20 -99.98 -32.52 10.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.933 -171.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.9 m -81.02 145.52 31.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.551 -172.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.559 ' O ' ' HD1' ' A' ' 144' ' ' TYR . 45.5 t -71.35 116.62 49.07 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 171.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 41.0 Cg_exo -59.0 113.46 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.976 2.451 . . . . 0.0 111.946 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.559 ' HD1' ' O ' ' A' ' 142' ' ' VAL . 44.8 p90 -136.04 169.54 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.763 ' HG ' ' HA2' ' A' ' 99' ' ' GLY . 6.3 mp -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.393 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -115.16 -47.07 2.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.3 13.02 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.807 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.38 131.22 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.977 0.418 . . . . 0.0 110.684 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -104.17 -165.91 1.2 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -158.99 75.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.054 173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -75.17 90.58 2.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.552 0.691 . . . . 0.0 110.965 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -155.55 42.97 0.43 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -100.42 17.28 21.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.762 -170.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.91 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -170.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.644 173.611 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.479 0.633 0 N-CA-C 110.928 -0.451 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -122.18 168.49 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m 61.12 22.47 12.76 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.767 0.667 . . . . 0.0 111.83 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -80.9 92.08 6.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -178.98 124.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.858 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -133.12 118.97 19.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 0.0 110.587 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.85 -55.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.435 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.65 175.99 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.48 87.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.386 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm 64.39 17.37 10.75 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.589 0.556 . . . . 0.0 112.256 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -89.16 90.51 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 66.47 109.67 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.044 167.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 13' ' ' LYS . 20.1 ptmt -160.99 136.58 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 173.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -90.7 106.85 18.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.24 155.95 41.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.761 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mmt -83.04 109.84 17.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 0.0 109.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 39.9 mtmt -101.01 149.69 36.44 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 -173.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 22.5 Cg_exo -65.38 108.86 1.26 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.471 2.114 . . . . 0.0 111.65 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.35 43.93 23.67 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.588 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -95.89 151.62 19.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 110.66 179.32 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.9 t -74.87 159.61 31.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.073 0.463 . . . . 0.0 111.6 -170.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.57 77.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.278 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.39 -47.18 85.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.188 0.518 . . . . 0.0 110.359 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 20' ' ' LEU . 29.2 mt-10 -60.48 -44.66 95.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.668 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HE2' HD11 ' A' ' 20' ' ' LEU . 35.6 ttmt -63.62 -47.37 81.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.299 -1.318 . . . . 0.0 111.698 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.65 -45.19 81.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 0.0 110.756 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.79 -43.31 94.49 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.138 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 24' ' ' GLU . 90.9 t -67.13 -43.41 88.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 25' ' ' LYS . 76.8 mt -60.01 -48.8 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.09 -37.51 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.719 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.53 87.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.563 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.08 82.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.635 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -64.51 -36.16 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.78 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.738 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.6 mtp85 -75.35 -9.19 58.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -104.41 -44.38 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.072 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.13 -53.44 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.076 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.49 -5.89 28.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.599 . . . . 0.0 109.856 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.738 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 40.2 mt-10 60.35 28.54 18.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.96 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -173.07 147.76 1.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 16.9 m-20 -72.7 96.91 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -57.82 136.16 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.0 111.473 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -84.55 142.6 29.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.191 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? 46.29 20.67 0.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.42 1.088 . . . . 0.0 113.054 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 66.51 -0.3 1.58 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.515 0.726 . . . . 0.0 112.547 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 67.12 -58.93 0.4 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.325 0.65 . . . . 0.0 112.606 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB3' HG12 ' A' ' 49' ' ' ILE . 46.6 t -127.57 147.31 50.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.698 0.285 . . . . 0.0 110.236 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.51 -29.05 68.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 0.0 110.589 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 43.8 m -57.33 -37.33 72.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.331 175.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 46' ' ' SER . 50.6 mm -68.53 -41.47 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.135 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.0 m -60.83 -35.54 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 48.8 t80 -69.89 -41.48 74.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.112 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' SER . 97.2 mt -61.82 -43.26 99.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.92 -46.88 78.34 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.306 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -61.22 -39.39 90.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.224 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 51.7 mt-30 -65.85 -46.55 78.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 0.0 111.438 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.52 -24.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.063 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 67.8 ttt180 -69.14 -33.49 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.928 177.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -91.7 0.4 57.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.873 0.368 . . . . 0.0 110.678 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 23.69 77.73 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.284 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.97 -34.16 57.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 0.0 109.81 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.7 pt -123.93 145.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.101 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.8 p -74.33 170.36 15.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.7 mmt -66.62 -32.78 74.33 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.633 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.25 -44.62 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 11.3 mm-40 -66.16 -46.82 76.07 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.947 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 38.8 t80 -54.03 -47.51 71.49 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.556 0.535 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.05 -41.81 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 68' ' ' ARG . 2.9 ttm180 -61.09 -38.58 86.78 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 110.385 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 8.0 mmt85 -72.84 -38.72 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 88.5 mt -64.45 -42.07 96.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . . . -69.01 -28.19 66.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 14.7 tmtt? -77.25 -22.17 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.114 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.3 m -64.17 137.47 97.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.795 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.83 -34.99 68.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.343 2.695 . . . . 0.0 113.434 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 54.3 tp -58.03 -58.46 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.752 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 67.9 t80 -64.32 -41.38 96.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -54.29 -50.29 67.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.931 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 82' ' ' GLU . 73.5 tttt -71.44 -32.5 68.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.811 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 28.4 mm-40 -54.24 -35.79 62.86 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 78.1 m-85 -115.64 13.17 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.601 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -109.84 -37.9 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.599 ' HG2' ' HG3' ' A' ' 78' ' ' LYS . 79.2 mm-40 -73.34 -55.47 3.64 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 11.8 Cg_endo -90.73 -4.76 4.62 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.346 2.031 . . . . 0.0 113.133 -174.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 95.6 m-85 -120.24 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.203 0.525 . . . . 0.0 111.155 -175.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.93 162.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.684 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -45.99 -49.76 15.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.201 0.6 . . . . 0.0 111.739 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -55.82 -44.81 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.108 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -82.02 -33.86 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.923 -175.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.51 86.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.076 0.465 . . . . 0.0 109.838 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 123' ' ' LEU . 38.3 tp -60.87 -46.35 90.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.392 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -59.7 -47.27 86.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.89 -29.94 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.236 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.68 -51.07 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.94 -27.85 69.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -48.29 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.451 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.43 -21.56 20.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.387 -168.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.5 mt -95.78 -62.7 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.144 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 127' ' ' LEU . 5.0 mp -84.77 -34.86 22.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.98 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.1 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.693 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -139.67 -74.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 110.565 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.13 173.51 13.41 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.739 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.0 Cg_exo -72.75 124.6 9.85 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.863 2.376 . . . . 0.0 111.772 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.0 p -73.54 -67.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.29 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 108' ' ' VAL . 24.1 t -145.74 173.83 11.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.934 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -53.81 -32.51 52.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.579 0.549 . . . . 0.0 112.353 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.5 -57.6 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 111.077 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 110' ' ' LYS . 4.2 tp10 -65.59 -35.42 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.907 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 104' ' ' SER . 88.2 t -60.89 -57.14 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.164 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -61.77 -36.6 81.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.707 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' OE1' ' A' ' 107' ' ' GLU . 68.4 tttt -53.72 -51.48 63.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.434 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -83.32 -23.7 32.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -62.03 -36.45 81.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.023 0.439 . . . . 0.0 110.208 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.93 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.509 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -70.49 -25.72 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.708 -177.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 p -84.48 -46.1 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.781 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -84.42 -56.52 3.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.7 -36.72 52.98 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.243 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.16 170.57 17.0 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.56 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.3 tp -58.88 -50.04 90.15 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.726 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -57.01 -38.83 95.03 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.848 1.699 . . . . 0.0 112.287 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.95 99.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.581 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.509 HD22 ' HB ' ' A' ' 115' ' ' VAL . 39.8 tp -61.49 -53.9 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.366 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 71' ' ' ALA . 86.6 t -57.84 -43.43 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.105 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.99 -44.84 83.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.289 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.8 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.283 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 98' ' ' LEU . 94.3 mt -78.97 -43.91 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.98 -44.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.707 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.29 8.66 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.2 t -53.5 121.98 8.82 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.127 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -60.41 -37.2 80.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.525 ' O ' ' HD2' ' A' ' 136' ' ' TYR . 2.0 mp0 -57.3 -56.35 22.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.823 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 98' ' ' LEU . 84.0 t80 -56.62 -46.25 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.026 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.17 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.958 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.21 -46.66 12.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 111.151 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.525 ' HD2' ' O ' ' A' ' 132' ' ' GLU . 77.5 m-85 -70.8 -45.65 64.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.697 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -91.97 -36.34 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 111.379 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.14 130.55 5.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.478 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.68 -14.92 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.794 0.331 . . . . 0.0 111.432 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.02 -22.77 36.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.824 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.7 m -88.73 143.51 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.95 133.42 65.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -39.92 117.74 0.45 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.373 2.715 . . . . 0.0 112.158 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.65 81.29 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.289 0.566 . . . . 0.0 111.427 -175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 72.3 mt -103.13 119.24 38.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.101 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -82.14 -12.7 58.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 109.126 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.18 -141.54 15.34 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.029 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 148' ' ' LEU . 2.3 pt? -156.21 40.85 0.37 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -32.61 106.0 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.873 1.358 . . . . 0.0 113.312 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -127.38 69.89 1.3 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.822 -1.081 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -73.63 96.02 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.583 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -89.36 -10.74 45.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.493 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -148.88 135.47 19.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -142.38 163.09 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.113 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.155 178.484 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.483 0.87 0 CA-C-O 120.645 0.185 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -136.75 -25.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -79.1 89.67 4.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.151 0.501 . . . . 0.0 111.013 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -120.77 -52.27 2.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.203 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.6 29.44 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.071 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.9 t30 71.49 104.24 0.07 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.538 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.71 51.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.35 88.94 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.465 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.27 142.84 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.107 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -126.44 -71.66 0.68 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.994 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.0 56.22 3.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.337 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -84.67 -13.09 52.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.745 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -131.72 111.95 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.38 0.61 . . . . 0.0 110.888 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.0 m-85 -94.49 132.38 39.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.707 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.85 135.98 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.7 tpp -83.19 45.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.022 0.915 . . . . 0.0 108.725 173.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.699 ' HG3' ' HB3' ' A' ' 20' ' ' LEU . 17.0 pttm -52.01 138.52 35.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.515 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 52.0 Cg_exo -52.65 113.97 1.48 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.088 2.525 . . . . 0.0 112.862 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.73 48.75 6.46 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.739 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -104.45 155.79 18.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.958 0.409 . . . . 0.0 111.578 -177.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -68.59 162.99 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.752 -168.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 -50.53 67.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.813 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.89 -40.94 81.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.1 mm-40 -58.08 -51.89 67.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.491 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 33.8 ttmt -61.75 -43.2 99.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.316 -174.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -58.74 -39.94 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.46 -38.17 74.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 24' ' ' GLU . 84.0 t -62.51 -48.68 87.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.525 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 53' ' ' GLU . 75.6 mt -63.92 -36.77 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.75 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -62.47 -45.74 91.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.65 86.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.92 -55.08 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.275 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -65.88 -29.8 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 33.5 ttt180 -79.85 -12.21 59.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 6.1 tp-100 -106.74 -45.31 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.61 0.243 . . . . 0.0 111.573 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.33 -57.14 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' ' 70' ' ' LEU . 76.4 m-85 -99.45 0.96 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.072 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 52.6 mt-10 57.24 23.01 8.24 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.573 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 58.28 29.53 18.2 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.929 0.871 . . . . 0.0 111.249 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.26 -23.13 63.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -63.17 153.68 6.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.639 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 p -118.54 160.41 21.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.572 0.701 . . . . 0.0 111.686 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 94.2 mttt -61.06 145.97 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.062 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . 74.95 15.5 3.04 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.834 0.709 . . . . 0.0 111.431 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.86 177.47 0.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.707 0.289 . . . . 0.0 110.871 170.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -50.9 135.61 24.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.054 0.454 . . . . 0.0 111.897 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' HG3' ' H ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.55 -15.8 61.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.183 -177.517 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -63.1 -32.07 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.58 -42.19 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.123 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.103 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.07 -42.62 85.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.262 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.5 mt -65.61 -42.71 91.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.802 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG21 ' A' ' 29' ' ' ILE . 32.7 tt0 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.6 t -59.32 -41.62 89.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.78 -40.97 68.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.015 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.41 -29.33 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.222 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -67.6 -33.5 75.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.113 0.482 . . . . 0.0 110.346 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -87.87 3.54 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.07 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.83 22.54 68.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.487 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.11 -38.99 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.294 0.569 . . . . 0.0 109.72 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -114.69 137.62 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.638 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -73.24 164.94 25.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.112 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.0 tpp -61.37 -42.73 99.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.316 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 128' ' ' VAL . 83.3 tttt -54.68 -39.3 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 175.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.82 -41.11 60.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.584 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 53.0 t80 -59.75 -50.07 75.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.12 -43.18 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.695 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -56.44 -53.12 61.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.344 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -58.05 -45.45 87.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 74.4 mt -58.68 -52.91 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 111.43 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -75.39 -15.12 60.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.593 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -91.1 -10.53 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.11 0.481 . . . . 0.0 109.865 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -71.74 149.79 93.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.181 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -52.77 -25.6 27.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.329 2.686 . . . . 0.0 113.114 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.83 86.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -81.31 -23.34 37.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.293 0.568 . . . . 0.0 110.058 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.532 ' HA ' HD23 ' A' ' 120' ' ' LEU . 74.3 mtp180 -70.48 -23.05 62.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.178 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -93.82 -64.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.67 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 71.6 mt-30 -78.75 143.85 35.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.033 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 76.5 m-85 73.35 4.87 4.94 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.923 0.764 . . . . 0.0 111.757 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.48 -66.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.45 -49.88 90.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.22 9.34 1.8 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.732 1.621 . . . . 0.0 113.012 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.53 160.25 32.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.24 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.12 154.72 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.61 -37.76 42.07 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -69.86 -25.56 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.346 . . . . 0.0 111.541 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -81.57 -45.39 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.484 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -29.7 71.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.762 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 123' ' ' LEU . 23.0 tp -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.806 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.08 -38.81 86.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.885 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.11 -44.61 94.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.62 68.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.798 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 16.3 m-85 -58.06 -40.85 82.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.545 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -68.49 -27.76 66.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -86.03 -22.6 27.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 HG13 ' A' ' 124' ' ' VAL . 72.1 mt -101.72 -59.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.679 -176.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.2 mt -93.92 -26.18 16.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.109 0.48 . . . . 0.0 110.715 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.28 10.77 61.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.84 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.667 ' HB2' ' HA3' ' A' ' 147' ' ' GLY . 2.0 tpm_? -155.85 130.68 9.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 94' ' ' PHE . . . -84.67 169.02 44.41 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.489 ' HB2' HG22 ' A' ' 108' ' ' VAL . 36.9 Cg_endo -64.66 145.36 86.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.841 2.361 . . . . 0.0 111.82 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -121.71 -30.77 4.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.801 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.1 m -94.13 149.05 21.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.678 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.93 -45.14 82.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.268 -0.173 . . . . 0.0 111.196 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.81 -40.76 85.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.835 0.826 . . . . 0.0 109.586 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.92 -51.07 66.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.75 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 104' ' ' SER . 75.3 t -58.32 -49.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.35 -41.29 84.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.559 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 114' ' ' ILE . 66.0 tttm -58.6 -51.7 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -75.36 -31.3 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.89 -37.12 85.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 0.0 110.317 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.2 m -71.62 -27.99 63.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.779 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 110' ' ' LYS . 85.2 mt -70.96 -51.25 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.542 HG23 ' HA ' ' A' ' 120' ' ' LEU . 14.9 p -66.77 -31.64 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.707 -176.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.2 p -78.94 -35.69 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.84 0.352 . . . . 0.0 111.579 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 m -86.44 -44.77 11.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.685 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.22 -15.4 32.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.05 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.5 168.41 30.05 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 39.5 tp -59.18 -49.78 91.16 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 14.7 Cg_endo -57.33 -23.72 56.23 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.401 2.068 . . . . 0.0 113.037 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.66 -43.68 25.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 90' ' ' LEU . 30.7 tp -58.61 -50.48 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.391 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 97' ' ' ILE . 77.8 t -61.75 -43.74 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.88 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 121' ' ' PRO . 1.9 t70 -60.41 -44.16 96.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.535 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.38 97.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.141 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.34 -49.85 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.542 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.586 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 59.3 t -68.8 -34.49 64.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 111.257 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.13 -31.96 71.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.0 p -50.11 131.82 23.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.331 0.586 . . . . 0.0 112.356 -171.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.98 -32.26 73.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.049 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.43 -51.67 61.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.337 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.539 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 55.5 t80 -64.98 -52.74 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.97 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.94 99.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.79 -41.73 18.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -77.39 -33.11 55.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.753 0.311 . . . . 0.0 111.28 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.539 ' HD1' ' HA ' ' A' ' 133' ' ' TYR . 91.6 m-85 -102.95 -41.33 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.247 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 120.39 135.91 5.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.079 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -7.89 47.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.218 0.533 . . . . 0.0 111.147 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.55 -14.14 15.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.026 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.5 m -90.09 142.64 27.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.2 130.28 91.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.463 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.8 Cg_exo -54.86 111.82 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.313 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -119.05 164.74 15.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.458 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 73.2 mt -68.14 93.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.422 . . . . 0.0 110.762 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.537 ' HD3' ' CD2' ' A' ' 137' ' ' PHE . 74.0 ttt180 -113.27 13.84 19.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.61 0.719 . . . . 0.0 109.677 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.667 ' HA3' ' HB2' ' A' ' 100' ' ' ARG . . . -87.35 84.37 1.54 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.439 176.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.29 -73.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.024 0.44 . . . . 0.0 111.751 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.55 159.47 12.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 -174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -91.13 126.44 36.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -106.13 -25.47 12.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.838 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -80.05 70.25 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.376 0.608 . . . . 0.0 110.76 175.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -118.95 42.21 2.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.717 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -72.83 127.35 32.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.615 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.954 178.228 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.478 0.581 0 N-CA-C 110.522 -0.607 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -151.36 151.85 32.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -130.83 -52.03 1.05 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.06 96.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -105.77 -33.36 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -71.85 111.58 7.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.035 0.445 . . . . 0.0 110.634 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.19 13.23 28.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.06 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.1 125.18 53.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.032 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.85 -72.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.076 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 54.16 -156.55 0.21 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.252 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 68.91 105.98 0.05 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.397 0.617 . . . . 0.0 112.263 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -115.29 8.61 15.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.079 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.86 155.24 38.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.732 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG13 ' A' ' 28' ' ' VAL . 78.4 m-85 -65.09 104.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 111.092 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -133.56 138.4 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.587 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 tpp -82.33 86.63 6.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 20' ' ' LEU . 53.4 pttt -117.07 136.1 23.24 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 44.9 Cg_exo -57.62 120.12 7.82 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.708 2.272 . . . . 0.0 111.483 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.81 -21.67 4.17 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 17' ' ' LYS . 83.5 mt -79.59 148.55 31.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.627 0.251 . . . . 0.0 110.407 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -84.51 171.18 12.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -22.47 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.62 -50.42 37.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.7 mp0 -61.9 -45.08 95.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.299 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.45 -38.38 77.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -58.62 -44.37 89.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.11 77.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.355 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 14' ' ' TYR . 87.2 t -62.0 -52.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 110.74 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG21 ' HG3' ' A' ' 53' ' ' GLU . 38.8 mt -67.48 -35.77 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.482 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.29 -44.6 88.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.961 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.92 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.729 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 29' ' ' ILE . 46.8 m-85 -59.57 -40.37 87.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.015 177.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -67.88 -52.04 41.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.038 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -67.17 -32.73 74.03 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HA ' ' NE2' ' A' ' 96' ' ' HIS . 58.2 mt -91.38 -43.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 70' ' ' LEU . 79.8 m-85 -107.77 -31.87 7.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 64.27 15.31 9.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.93 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 61.16 86.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.594 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.98 11.56 4.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.652 HD12 HD13 ' A' ' 49' ' ' ILE . 10.3 pt -84.39 150.36 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.938 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -156.55 -169.7 3.1 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.089 -174.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 23.9 pttm -58.63 100.47 0.07 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.682 0.754 . . . . 0.0 110.858 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 172.67 -38.15 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.797 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.6 -70.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.316 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 t 56.8 -84.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.894 0.878 . . . . 0.0 113.315 170.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.29 -34.0 77.12 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 -171.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -66.59 -26.37 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.511 . . . . 0.0 110.333 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.652 HD13 HD12 ' A' ' 41' ' ' ILE . 67.4 mt -73.79 -54.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.383 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.5 -31.33 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.5 t80 -58.44 -56.68 19.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.083 176.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.76 -37.06 85.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG3' HG21 ' A' ' 29' ' ' ILE . 35.3 tt0 -57.56 -46.79 83.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -67.74 -38.36 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 87.1 mm-40 -62.43 -41.2 98.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.323 . . . . 0.0 111.214 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.37 -25.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -68.63 -43.48 76.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.209 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.01 -37.45 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.456 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.05 17.42 7.31 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.817 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -36.76 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -128.95 149.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.192 174.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 t -89.84 -179.85 5.82 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 38.3 tpp -64.24 -28.25 69.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 109.738 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.768 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 80.1 tttt -57.43 -46.36 83.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.459 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 4.3 mp0 -74.84 -39.14 61.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.4 t80 -60.17 -56.93 15.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD11 ' A' ' 36' ' ' ILE . 89.0 t -61.96 -43.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 21.4 ttp180 -61.45 -43.6 98.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.344 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -71.44 -33.51 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.2 mt -69.76 -40.16 76.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 110.619 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -73.73 -21.28 60.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 62.7 pttt -108.57 20.43 18.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 0.0 110.476 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -73.51 157.73 87.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -25.41 70.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 111.974 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.9 tp -72.2 -46.43 56.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 120' ' ' LEU . 10.7 t80 -70.31 -20.01 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.397 0.618 . . . . 0.0 109.787 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.6 ttt180 -80.8 -41.67 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.225 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 62.7 mmtt -76.13 -41.51 49.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -90.04 174.32 7.71 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 169.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' HE1' ' HB3' ' A' ' 92' ' ' LEU . 77.0 t80 65.89 -70.71 0.09 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.41 -29.42 64.89 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.787 0.435 . . . . 0.0 111.625 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.61 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 9.9 tp10 -88.27 -53.96 0.35 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 24.1 Cg_exo -64.09 -33.71 60.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.054 1.836 . . . . 0.0 112.824 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -105.34 157.69 17.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.085 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.6 tt -77.06 149.39 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.246 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -52.18 -38.7 58.55 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.1 p -59.97 -49.88 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 110.848 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -67.68 -35.96 79.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.132 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.815 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.483 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 25.0 tp -57.13 -44.22 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.306 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' HG2' ' HG3' ' A' ' 102' ' ' PRO . 35.7 mt-10 -59.13 -49.07 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.645 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 5.4 tt -64.53 -40.28 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.05 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 13.7 m-85 -57.9 -38.2 75.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.479 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.529 ' O ' HD22 ' A' ' 145' ' ' LEU . 39.4 ttm180 -83.21 -18.04 40.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.566 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.562 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 3.2 t-160 -85.59 -30.15 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.918 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 127' ' ' LEU . 74.2 mt -102.24 -47.88 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.91 0.386 . . . . 0.0 111.227 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 127' ' ' LEU . 52.3 mt -100.18 -17.29 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 -175.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.89 18.32 68.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.804 -175.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 100' ' ' ARG . 5.1 tpp180 -97.8 -79.51 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 0.0 111.45 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 94' ' ' PHE . . . 105.16 143.69 12.14 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -172.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HG3' ' HG2' ' A' ' 91' ' ' GLU . 14.0 Cg_endo -55.76 116.83 3.44 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.979 2.453 . . . . 0.0 112.574 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -115.07 -21.58 9.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.003 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 m -128.07 147.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.698 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -69.49 -35.95 76.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.681 0.276 . . . . 0.0 110.302 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.2 -44.49 97.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.3 -49.49 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.552 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' SER . 61.8 t -57.41 -56.49 14.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.817 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.58 -37.69 79.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.844 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -57.44 -57.62 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 110.911 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -78.43 -25.54 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.73 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -62.37 -39.66 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.04 0.448 . . . . 0.0 109.893 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -66.64 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.381 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.12 -48.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -73.52 -20.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.5 t -79.46 -23.86 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.858 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 p -99.74 -63.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.782 0.325 . . . . 0.0 111.596 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -87.68 -6.77 76.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.613 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.45 -167.12 42.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.613 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 54.1 tp -58.66 -49.8 91.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 10.2 Cg_endo -51.63 -41.64 60.26 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.433 2.088 . . . . 0.0 112.908 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.83 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.7 0.286 . . . . 0.0 110.81 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.77 -50.87 69.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.609 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 71' ' ' ALA . 80.8 t -57.73 -48.01 84.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.769 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.6 -47.08 86.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.01 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 111.611 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -74.46 -45.02 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.576 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 42.5 t -83.15 -37.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.583 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 34.3 t70 -77.71 -22.49 50.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.5 p -58.7 149.01 27.27 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.155 0.502 . . . . 0.0 111.716 -175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -71.63 -38.99 70.71 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.495 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.95 -58.08 9.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.331 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 30.5 m-85 -74.01 -23.11 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.868 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.99 -53.95 49.23 Favored 'General case' 0 CA--C 1.522 -0.104 0 O-C-N 123.49 0.494 . . . . 0.0 111.152 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -82.85 -22.41 34.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.821 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 87.2 t80 -64.93 -52.72 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 98' ' ' LEU . 83.3 m-85 -87.08 -40.93 14.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.995 0.426 . . . . 0.0 110.678 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.97 102.67 2.57 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.3 pt-20 -69.45 -4.47 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.037 0.446 . . . . 0.0 111.874 -176.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -89.4 -26.77 20.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 11.4 m -97.57 157.4 16.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.618 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.85 121.86 86.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.23 104.55 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.258 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -81.52 136.3 35.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.444 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 95' ' ' ARG . 55.6 mt -79.37 105.9 11.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.685 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -84.99 75.43 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.374 0.607 . . . . 0.0 109.823 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.7 -178.5 36.59 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.62 149.82 44.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.863 0.332 . . . . 0.0 110.456 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.99 117.15 18.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.388 0.613 . . . . 0.0 110.623 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -150.71 62.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.602 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -162.31 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.767 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -101.8 -45.62 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 154' ' ' HIS . 23.6 t-80 66.05 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.989 -166.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 153' ' ' HIS . 37.2 t-80 170.02 126.95 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.715 0.634 . . . . 0.0 110.085 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.652 173.187 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 N--CA 1.479 0.664 0 N-CA-C 111.017 -0.416 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -112.35 -10.42 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 109.707 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -86.19 97.86 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.255 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -112.25 -32.9 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.276 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -141.85 23.21 2.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.72 101.6 9.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.363 -170.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.5 62.28 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.279 0.561 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.77 -43.34 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.0 91.25 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.602 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -116.4 89.07 3.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 11' ' ' ARG . 23.6 mmt180 -136.17 178.32 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.336 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.43 -177.38 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.245 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -80.04 129.55 34.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -94.41 116.94 29.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 111.193 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.8 133.01 37.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.84 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 56' ' ' VAL . 43.6 ttm -102.43 114.77 29.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.916 0.389 . . . . 0.0 110.34 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 7.7 ptmm? -134.08 148.96 70.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.018 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 38.7 Cg_exo -58.25 117.32 4.02 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.916 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.24 -19.04 5.46 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.031 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.518 ' HG ' ' HG2' ' A' ' 17' ' ' LYS . 86.6 mt -76.96 155.64 32.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 39.6 t -73.73 157.99 35.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.898 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.21 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.889 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.3 mm-40 -64.45 -45.36 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.974 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 29' ' ' ILE . 98.6 mttt -62.18 -47.06 86.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.513 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.62 -33.79 74.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.166 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.78 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.342 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 24' ' ' GLU . 83.8 t -65.12 -42.56 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.504 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 61.1 mt -62.73 -42.07 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.499 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -61.57 -42.27 98.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.383 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 35' ' ' GLN . . . -62.7 -39.82 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.731 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.38 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -61.84 -50.73 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.282 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.8 mtp85 -63.37 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.075 -178.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 24.4 mm-40 -80.56 -38.16 30.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.532 HD11 HG22 ' A' ' 67' ' ' VAL . 51.9 mt -89.18 -45.6 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.45 -21.88 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.465 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.5 mt-10 61.41 22.09 12.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -178.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -149.5 148.7 29.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.862 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -82.0 97.79 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.565 0.697 . . . . 0.0 110.705 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.9 pt -84.22 145.08 8.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.187 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.8 t -154.99 -153.4 0.45 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.915 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.13 93.41 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.629 0.728 . . . . 0.0 111.461 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 177.73 -31.58 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.23 -1.35 . . . . 0.0 107.845 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HB2' HD11 ' A' ' 49' ' ' ILE . 19.5 m-85 -124.75 28.54 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.89 175.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 t -67.14 179.41 1.19 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.431 -172.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' SER . 51.1 tt0 70.54 -60.41 0.5 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.196 -170.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -62.21 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 45' ' ' TYR . 68.5 mt -61.38 -53.97 41.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 p -66.28 -29.78 70.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.794 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 41.8 t80 -60.65 -57.16 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.25 -37.1 86.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.458 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 24.2 tt0 -55.14 -57.54 11.34 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.478 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 57' ' ' ARG . 19.5 p -61.43 -30.06 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.9 mt-30 -61.18 -54.22 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG22 ' SD ' ' A' ' 16' ' ' MET . 11.6 p -75.42 -32.91 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.196 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 67.0 ttt180 -61.64 -28.65 69.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.626 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -101.23 4.78 42.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 111.204 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.0 30.41 65.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.405 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.73 -27.91 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 47.3 pt -132.33 145.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.438 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -72.24 167.11 21.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.45 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.563 ' SD ' HG22 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -53.76 -39.96 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 79.9 tttt -47.79 -51.8 21.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.299 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.709 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.3 mm-40 -69.15 -33.66 73.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.25 -45.67 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 36' ' ' ILE . 69.7 t -62.34 -47.17 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.624 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 84.1 mtp180 -55.87 -50.94 69.24 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -76.28 -23.21 54.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.913 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.9 mt -71.77 -47.59 52.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.5 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -82.0 -4.29 56.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.051 0.453 . . . . 0.0 111.159 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -106.69 4.31 27.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.271 0.558 . . . . 0.0 109.894 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.4 p -75.73 161.73 74.92 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 55.5 Cg_exo -53.8 -30.55 57.68 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.773 2.316 . . . . 0.0 112.377 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.73 -48.88 77.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -75.4 -23.48 57.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.184 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.254 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 14.3 mmmm -89.56 -64.76 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 79.3 mt-30 -71.37 162.62 29.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 81.3 m-85 69.03 -56.18 0.54 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.682 0.613 . . . . 0.0 111.828 -175.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -71.72 -41.19 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.6 tt0 -83.28 -52.67 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 31.6 Cg_endo -65.11 -10.35 25.31 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.102 1.868 . . . . 0.0 113.336 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.97 -174.62 3.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 tp -104.55 155.64 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.852 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -50.72 -45.23 58.45 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.869 0.468 . . . . 0.0 111.456 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -62.54 -29.59 70.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.643 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -81.19 -42.82 20.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.022 -178.757 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -65.93 -28.64 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.631 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.92 -53.68 55.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.65 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.43 -29.21 68.63 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 89' ' ' ALA . 87.4 mt -63.26 -45.6 90.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.44 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.914 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.21 -59.84 3.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.438 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 54.3 mtm180 -65.35 -41.72 93.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.105 -173.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.707 ' HA ' HD21 ' A' ' 145' ' ' LEU . 3.1 t60 -80.59 -30.86 36.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.932 -171.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.74 -43.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.351 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.77 -16.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.225 -176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.22 15.5 81.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.129 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' ARG . 41.7 ttp180 -146.88 156.38 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' HA2' ' HG2' ' A' ' 95' ' ' ARG . . . -82.45 159.87 39.22 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.954 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.06 128.62 24.6 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.659 2.239 . . . . 0.0 111.648 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 p -102.11 -42.31 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.625 -172.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 47.9 m -108.92 136.88 47.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.392 . . . . 0.0 111.224 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.51 -41.17 93.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.936 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -71.94 -22.64 61.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' O ' ' HD1' ' A' ' 111' ' ' TYR . 5.8 tp10 -67.52 -46.37 73.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.13 -48.73 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.433 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.521 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 114' ' ' ILE . 2.5 ttmp? -62.4 -58.77 6.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.287 0.565 . . . . 0.0 110.028 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' HA ' HD12 ' A' ' 114' ' ' ILE . 82.4 m-85 -68.49 -22.14 64.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.206 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.89 -42.25 90.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.174 0.511 . . . . 0.0 109.757 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -67.17 -36.99 82.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.1 mt -62.25 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.113 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 120' ' ' LEU . 8.5 p -67.92 -21.9 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.791 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -80.06 -46.36 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.329 . . . . 0.0 111.231 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.9 p -85.96 -49.1 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.853 0.358 . . . . 0.0 111.813 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -35.36 22.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.951 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.96 178.93 19.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.197 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 55.4 tp -60.15 -51.78 77.94 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 19.4 Cg_endo -60.47 -27.74 85.41 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.016 1.811 . . . . 0.0 112.526 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.33 -42.78 71.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.703 0.287 . . . . 0.0 110.459 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 tp -56.14 -54.64 42.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.571 177.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 71' ' ' ALA . 97.2 t -60.27 -45.01 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.46 -47.04 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.66 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.92 74.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.622 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.92 -45.99 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.449 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 t -84.21 -22.82 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.137 0.494 . . . . 0.0 111.259 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.78 -21.52 62.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -52.27 122.1 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.274 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.62 -40.7 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.912 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -65.0 -47.56 77.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.393 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.86 80.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.361 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.16 -26.31 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.4 ' HD2' ' HD1' ' A' ' 137' ' ' PHE . 87.4 t80 -57.76 -52.14 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.152 -175.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.678 ' HD2' ' HB ' ' A' ' 141' ' ' THR . 31.6 p90 -130.96 5.56 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.584 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.67 152.54 27.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.786 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 10.7 pt-20 -90.44 5.2 48.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.872 0.367 . . . . 0.0 110.598 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.51 -7.07 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.783 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.678 ' HB ' ' HD2' ' A' ' 137' ' ' PHE . 28.8 m -96.67 146.0 25.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.419 0.152 . . . . 0.0 110.911 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.563 HG22 ' SD ' ' A' ' 63' ' ' MET . 61.5 t -73.81 123.8 89.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.499 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.81 122.35 10.38 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.611 2.207 . . . . 0.0 111.726 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -120.92 143.16 49.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.125 0.488 . . . . 0.0 111.41 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 96' ' ' HIS . 88.9 mt -68.68 105.89 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -153.66 -77.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.313 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 63.26 -98.68 0.24 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -168.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 33.9 tp 71.85 156.57 0.17 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.645 0.736 . . . . 0.0 112.251 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.33 170.18 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.744 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -96.7 85.17 3.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.756 -174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 35.1 p80 -85.55 -179.53 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -61.22 108.17 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -107.62 89.62 3.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.397 0.618 . . . . 0.0 112.65 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -165.12 113.64 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.787 167.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 13.1 t60 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.59 -177.431 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.479 0.625 0 N-CA-C 110.675 -0.548 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -104.02 148.91 25.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -109.79 102.89 11.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.32 0.581 . . . . 0.0 111.039 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -91.23 -5.08 55.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.012 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -97.82 109.66 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.837 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.42 -56.24 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.72 138.06 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.599 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.39 -154.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 71.25 92.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.8 0.688 . . . . 0.0 111.061 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -100.44 105.71 17.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.711 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.31 85.85 6.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.28 0.562 . . . . 0.0 110.358 177.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.552 ' HG2' ' HG3' ' A' ' 13' ' ' LYS . 49.7 tt0 -140.85 137.47 33.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.107 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' HG3' ' HG2' ' A' ' 12' ' ' GLN . 45.0 mtmt 66.77 152.13 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.634 0.774 . . . . 0.0 112.232 178.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 28' ' ' VAL . 39.0 m-85 -75.33 91.66 2.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -143.56 141.11 30.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.312 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.02 115.33 8.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -114.17 151.99 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.414 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.55 68.66 3.58 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.912 2.408 . . . . 0.0 112.402 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.53 36.47 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.749 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -89.08 136.73 32.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.603 -0.351 . . . . 0.0 110.215 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -73.14 163.04 28.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.94 76.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.97 -35.94 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.056 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -69.19 -43.95 73.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 179.011 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 38.5 ttmt -62.78 -39.98 95.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.224 177.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.45 -40.1 93.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.227 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.8 83.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.448 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 24' ' ' GLU . 61.7 t -67.71 -45.14 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG21 ' HG3' ' A' ' 53' ' ' GLU . 54.4 mt -69.93 -39.77 77.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.778 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -59.17 -41.91 89.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.39 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.12 86.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.773 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.34 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.495 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 29.8 m-85 -54.62 -43.2 72.03 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 42.3 ttm180 -65.54 -39.71 92.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.402 -173.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -88.75 -13.93 38.35 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.644 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.56 HD11 HG22 ' A' ' 67' ' ' VAL . 66.3 mt -92.53 -58.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.724 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -125.1 26.81 6.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.48 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.7 pt-20 46.08 33.29 1.65 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.779 0.832 . . . . 0.0 111.845 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' ' HB3' ' A' ' 33' ' ' TYR . 0.2 OUTLIER 54.41 -97.92 0.07 Allowed 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.561 179.178 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.455 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 31.2 t70 34.49 -108.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.511 0.725 . . . . 0.0 111.988 -170.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' ARG . 38.3 pt 47.92 121.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.787 1.635 . . . . 0.0 114.534 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -81.33 162.22 23.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.487 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -78.89 8.05 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -176.531 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.24 -19.25 54.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.506 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.82 174.48 6.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -56.15 122.43 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.088 0.47 . . . . 0.0 111.844 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.15 -21.9 65.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.066 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 31.0 t -55.33 -28.87 56.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.332 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.69 -42.3 92.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 110.344 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 5.6 t -76.14 -24.15 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.812 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.23 -36.34 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.1 mt -61.13 -38.36 86.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.077 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HG3' HG21 ' A' ' 29' ' ' ILE . 10.7 tt0 -56.0 -45.6 78.99 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.397 174.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 m -62.87 -38.57 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -67.48 -45.0 77.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.144 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.11 -22.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 0.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.691 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 28.8 mtp180 -68.59 -42.39 78.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.693 173.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.31 -34.72 76.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.126 0.488 . . . . 0.0 110.795 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.14 35.64 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.78 -54.22 17.18 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 42.0 pt -104.6 139.97 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.007 172.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 139' ' ' GLU . 63.1 m -91.71 -177.95 4.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' HG22 ' A' ' 142' ' ' VAL . 19.6 mmt -65.65 -21.17 66.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.302 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 15.3 tptt -59.17 -47.27 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.051 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 2.3 mp0 -71.38 -47.31 56.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.9 -54.58 44.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 36' ' ' ILE . 70.6 t -60.38 -47.83 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 111.099 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 21.2 ttp180 -61.92 -39.3 91.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.745 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.4 -34.56 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.188 -0.32 . . . . 0.0 111.52 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.51 -36.81 76.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.425 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 9.7 mtmp? -91.91 8.4 37.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.271 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.2 m -74.66 144.28 80.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.74 -36.58 62.49 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.33 2.687 . . . . 0.0 113.116 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.63 -52.15 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -65.24 -42.3 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.278 0.561 . . . . 0.0 109.941 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.7 ttt180 -61.0 -47.57 85.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.206 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 85.2 tttt -72.74 -19.93 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.717 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -96.37 -49.1 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.12 -17.98 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 120' ' ' LEU . 92.7 t80 -117.58 -54.5 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.074 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . 6.3 tp10 -49.74 -53.8 38.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 88.1 Cg_endo -91.96 14.83 1.72 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.027 1.818 . . . . 0.0 113.117 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.18 161.22 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.509 HG13 ' HG3' ' A' ' 88' ' ' ARG . 13.9 pt -74.4 144.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.886 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -62.56 -23.52 67.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 p -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.741 0.305 . . . . 0.0 111.486 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.509 ' HG3' HG13 ' A' ' 85' ' ' ILE . 73.7 mtp180 -89.25 -42.37 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.446 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -62.15 -30.24 70.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 37.6 tp -55.95 -51.01 69.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -69.77 -33.26 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.513 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 89' ' ' ALA . 97.4 mt -60.1 -41.46 92.61 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.0 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.624 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 m-85 -59.07 -39.95 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -66.15 -35.81 81.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.724 0.297 . . . . 0.0 111.368 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 1.7 t-160 -87.08 -24.14 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.501 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 124' ' ' VAL . 80.5 mt -100.33 -46.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.594 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.31 -18.97 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -174.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.02 78.36 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.614 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 6.3 mtm180 -149.78 178.06 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.424 0.29 . . . . 0.0 110.268 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.83 159.24 14.5 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.999 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.5 ' HB2' HG22 ' A' ' 108' ' ' VAL . 2.2 Cg_endo -79.34 98.22 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.844 2.363 . . . . 0.0 111.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -83.42 -22.74 32.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 m -85.9 121.75 28.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.22 -33.67 72.58 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -58.87 -46.47 87.73 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.051 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.19 -36.15 83.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.92 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 102' ' ' PRO . 69.2 t -61.42 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.302 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.71 -36.9 75.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.156 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 83.6 m-85 -79.7 -20.92 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.31 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.05 -41.93 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.4 m -67.95 -39.77 83.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.296 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.04 -42.38 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.06 -21.31 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.746 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -80.0 -48.54 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.572 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -84.09 -45.44 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -66.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.97 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.65 -170.46 23.06 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.14 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 54.4 tp -66.53 -51.54 40.87 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.694 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.2 Cg_exo -55.11 -41.08 82.2 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.809 1.673 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.78 98.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 64.8 tp -61.12 -49.42 77.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.591 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -57.96 -49.73 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.95 -41.48 87.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.897 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.877 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.71 -43.24 99.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 111.392 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.413 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 31.7 t -76.81 -21.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -80.71 -39.36 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.855 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 65.4 p -56.42 132.67 51.82 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.59 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 14.1 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 16.0 mm-40 -56.25 -54.48 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -82.32 -22.95 35.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 110.635 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.741 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.66 -54.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.254 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.9 -43.74 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.625 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.579 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -58.86 -54.74 43.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -175.011 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.72 -22.62 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.949 0.404 . . . . 0.0 110.725 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.5 173.38 49.79 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.805 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 62' ' ' SER . 15.1 pt-20 -102.07 -25.11 13.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.855 0.36 . . . . 0.0 110.574 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -82.09 -32.51 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 13' ' ' LYS . 19.8 m -82.67 137.05 34.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.994 -171.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 63' ' ' MET . 6.5 t -80.68 131.42 60.89 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 171.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -65.72 87.58 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.737 2.291 . . . . 0.0 112.851 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -114.03 148.04 37.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.119 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 pp -102.07 1.53 36.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.697 0.284 . . . . 0.0 111.259 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 73.88 -41.49 0.49 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.748 0.819 . . . . 0.0 112.54 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -54.51 101.97 0.12 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.991 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.9 tp -93.1 -36.79 12.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.468 0.651 . . . . 0.0 110.12 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.38 147.74 52.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.037 -178.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -138.52 155.79 48.09 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -78.71 88.63 4.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.888 0.852 . . . . 0.0 110.583 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -98.48 156.14 16.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.066 -1.425 . . . . 0.0 108.635 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -63.29 120.83 12.32 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 70.3 t60 69.14 103.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.983 0.802 . . . . 0.0 109.94 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.444 -175.809 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 C--O 1.232 0.176 0 N-CA-C 110.691 -0.542 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -81.32 108.18 14.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.225 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p 51.38 -152.77 0.2 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.883 0.74 . . . . 0.0 111.351 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -129.81 161.32 31.02 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -68.65 129.85 41.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.8 t30 67.44 66.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.051 0.844 . . . . 0.0 110.258 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.12 -37.02 9.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.388 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.81 27.49 16.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.43 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.82 63.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.747 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.62 164.95 11.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.605 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.627 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 2.7 mmp_? -122.06 -179.06 4.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.863 0.363 . . . . 0.0 111.676 -174.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 mp0 -83.68 -164.69 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 -177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 61.9 mttm 73.07 26.03 2.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.227 0.611 . . . . 0.0 110.907 -174.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -74.68 88.13 2.2 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.439 170.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -112.81 134.63 54.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.01 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.569 ' HG2' HG22 ' A' ' 56' ' ' VAL . 51.6 tpp -73.76 98.4 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.152 0.501 . . . . 0.0 109.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -135.7 143.38 44.52 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.326 -178.074 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 37.2 Cg_exo -58.6 116.83 3.53 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.559 2.173 . . . . 0.0 110.888 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.82 -19.59 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.82 145.01 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -75.64 170.69 15.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.84 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.675 0.274 . . . . 0.0 111.096 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.54 -23.48 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.0 111.282 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.71 -45.38 52.58 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' ILE . 95.6 mttt -62.85 -36.98 85.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.86 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 1.9 t30 -54.18 -43.56 70.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.754 173.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.08 92.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.738 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.09 -45.38 90.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.518 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 25' ' ' LYS . 46.1 mm -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.874 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.73 -34.3 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.467 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.85 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.41 -41.82 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.738 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 35.4 ttm180 -70.71 -20.09 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.641 -176.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 14.6 mm-40 -93.39 -44.61 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.39 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.19 -57.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -84.19 -16.57 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.029 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 17.6 tt0 75.37 4.25 4.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.236 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -157.55 -179.1 7.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.958 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.633 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.2 p-10 -78.32 -17.12 56.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.496 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 40' ' ' ASP . 6.3 pt 60.33 156.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.024 1.329 . . . . 0.0 112.807 -178.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -115.05 176.12 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.031 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.6 ttmm 65.43 -0.47 1.17 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.622 173.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.05 58.85 4.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.074 -170.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.537 ' HB2' HD12 ' A' ' 41' ' ' ILE . 39.1 m-85 -53.17 -31.08 40.89 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.581 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.774 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 14.4 m -59.47 97.74 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.091 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HG3' ' H ' ' A' ' 48' ' ' SER . 8.0 pt20 -101.9 -78.28 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 168.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.828 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 3.9 m -64.15 -27.98 69.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 170.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.774 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 60.8 mt -61.54 -39.67 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.881 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -36.34 70.95 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.726 0.298 . . . . 0.0 110.499 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 84.1 t80 -60.89 -50.2 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.827 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 48' ' ' SER . 64.0 mt -59.34 -42.97 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.376 176.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -52.61 -48.42 66.33 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.983 177.293 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -77.19 -29.9 54.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.82 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.6 mm100 -64.73 -49.56 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 110.591 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 16' ' ' MET . 8.4 p -70.2 -29.74 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 30.6 ttt180 -58.71 -39.9 82.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.646 177.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -82.7 -24.92 33.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.65 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.05 28.54 6.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.894 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.75 -45.39 58.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 pt -115.4 165.3 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.3 p -84.42 163.7 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.097 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.8 tpt -66.84 -33.35 75.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.633 ' HE3' ' HA ' ' A' ' 129' ' ' ASP . 72.0 tttt -55.34 -54.27 45.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.687 175.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 31.3 mm-40 -64.53 -37.62 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.754 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 70' ' ' LEU . 38.2 t80 -56.93 -47.78 79.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.788 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 63' ' ' MET . 83.6 t -59.32 -42.83 88.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 70.8 mtp180 -59.04 -38.76 80.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 27.7 mmt180 -71.02 -42.48 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.687 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 66' ' ' PHE . 81.6 mt -63.64 -45.07 91.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.03 -177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' HG11 ' A' ' 124' ' ' VAL . . . -73.33 -24.49 60.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -84.24 -10.12 57.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 110.683 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.8 m -61.89 139.84 95.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.629 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 8.7 Cg_endo -49.83 -33.42 32.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.89 3.06 . . . . 0.0 113.87 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.05 -51.61 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.647 0.261 . . . . 0.0 110.722 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -71.4 -31.55 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.569 . . . . 0.0 109.626 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 74' ' ' PRO . 47.9 tpt85 -63.6 -30.9 71.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.421 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.49 -43.39 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.715 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.83 166.19 19.93 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.653 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 98.7 m-85 67.78 -64.93 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.058 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -68.47 -26.73 65.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.522 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.9 tm-20 -98.01 -57.4 0.17 Allowed Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.698 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 7.6 Cg_exo -74.53 -21.94 16.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.378 2.052 . . . . 0.0 113.931 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.653 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 98.8 m-85 -112.35 -179.48 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.988 0.423 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 tt -96.31 152.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.671 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -47.09 -57.47 5.04 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.509 0.723 . . . . 0.0 112.512 -172.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -59.14 -35.83 74.18 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 28.5 mmm180 -75.75 -41.27 53.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.19 94.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.957 0.408 . . . . 0.0 110.044 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.493 HD12 HD21 ' A' ' 123' ' ' LEU . 40.4 tp -56.38 -51.58 67.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.761 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HG3' ' HD2' ' A' ' 102' ' ' PRO . 41.6 tt0 -65.21 -41.91 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.282 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 90.9 mt -67.8 -32.3 72.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.85 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.837 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -57.58 -41.65 81.53 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.81 -33.39 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.548 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.8 -22.27 34.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 124' ' ' VAL . 83.8 mt -100.92 -57.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.027 0.441 . . . . 0.0 111.516 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 127' ' ' LEU . 49.0 mt -100.38 -33.89 10.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 -176.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.48 -8.54 67.98 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -87.93 -55.48 3.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.015 0.436 . . . . 0.0 110.908 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.46 167.86 32.62 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.65 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 108' ' ' VAL . 37.2 Cg_endo -67.07 119.36 6.38 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.437 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -96.25 -51.94 4.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 15.3 m -94.5 148.91 21.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 32.0 tpt180 -69.37 -40.68 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.594 0.235 . . . . 0.0 111.041 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.6 pm0 -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.147 0.499 . . . . 0.0 110.012 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 34.5 tt0 -61.54 -45.58 93.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.7 t -56.39 -48.48 79.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.024 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ARG . 27.6 mm-40 -56.2 -45.77 79.7 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.254 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 114' ' ' ILE . 60.4 tttm -55.72 -53.83 51.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.202 -178.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 107' ' ' GLU . 93.8 m-85 -79.34 -23.2 43.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.269 -175.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 35.2 t80 -64.34 -42.09 96.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 t -63.81 -37.88 89.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 111' ' ' TYR . 84.5 mt -62.35 -50.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.089 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.492 ' HB ' HD22 ' A' ' 123' ' ' LEU . 14.3 p -73.06 -26.71 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.8 m -77.17 -29.64 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.219 -0.301 . . . . 0.0 111.611 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 p -97.68 -56.51 2.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.762 0.315 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.89 -17.84 69.15 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.552 -176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.11 -172.44 38.32 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 53.4 tp -63.53 -50.13 74.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -55.37 -35.53 91.91 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.159 1.906 . . . . 0.0 113.053 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.62 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.533 0.206 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -58.06 -52.94 63.46 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 97' ' ' ILE . 88.3 t -59.36 -47.75 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.051 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.35 -40.08 95.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 130' ' ' SER . . . -60.27 -35.16 74.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.143 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.661 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 97' ' ' ILE . 40.0 t -76.67 -35.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.633 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 38.4 t70 -85.39 -13.5 49.2 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.179 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 126' ' ' ALA . 1.1 t -62.59 120.84 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -66.52 -28.62 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -167.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.95 -37.9 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.824 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.538 ' HD2' ' HB3' ' A' ' 130' ' ' SER . 30.9 m-85 -71.3 -43.21 67.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.202 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.2 -35.97 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -73.37 -55.16 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.735 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -81.58 -33.41 31.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.0 131.66 5.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.419 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.88 -11.79 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.522 0.677 . . . . 0.0 110.097 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.75 -21.14 12.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 4.1 m -97.14 148.9 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.685 -171.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.56 132.64 95.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 167.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -24.92 105.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.805 3.67 . . . . 0.0 114.465 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -83.73 79.0 9.61 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.434 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.8 tp -82.77 106.67 14.8 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.284 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 146' ' ' ARG . 9.9 ttp180 -139.75 92.56 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.15 110.32 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.072 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -84.14 108.4 17.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.47 -52.53 61.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.87 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -143.49 157.85 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -62.49 -36.09 81.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.157 0.503 . . . . 0.0 109.688 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -103.14 83.3 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.195 172.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -132.93 103.79 6.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.62 37.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.479 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.092 179.324 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.481 0.766 0 N-CA-C 110.824 -0.491 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -63.98 -76.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.111 0.481 . . . . 0.0 110.332 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -148.94 82.07 1.44 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -169.03 129.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.457 -170.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -90.06 137.96 31.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.31 98.35 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 111.284 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.18 99.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.559 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.07 11.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.34 77.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.23 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -120.88 131.67 54.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.631 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 57.4 95.06 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.022 0.827 . . . . 0.0 111.49 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -65.6 150.8 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.323 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 113.39 25.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 -176.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 99.1 m-85 -85.92 109.15 18.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.435 -173.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -119.87 116.11 25.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 20' ' ' LEU . 41.1 ttm -81.2 86.26 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.522 0.677 . . . . 0.0 110.107 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -88.38 154.1 51.21 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.168 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.38 93.46 0.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.47 2.113 . . . . 0.0 111.015 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.5 33.87 0.12 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.03 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 16' ' ' MET . 66.1 mt -118.15 140.44 49.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.0 m -73.56 170.04 16.01 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.76 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.634 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.22 -42.22 85.8 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.131 0.491 . . . . 0.0 110.764 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.1 mm-40 -65.41 -43.79 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.299 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.8 mttp -62.02 -45.32 94.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HA ' HD12 ' A' ' 29' ' ' ILE . 91.4 m-20 -53.13 -42.3 65.9 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.241 0.338 . . . . 0.0 111.298 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.46 99.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.894 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 14' ' ' TYR . 45.7 t -67.23 -39.44 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.867 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 25' ' ' LYS . 68.7 mt -61.79 -42.4 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.26 0.553 . . . . 0.0 110.476 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -64.45 -32.8 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.508 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . -69.63 -30.88 68.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.905 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -46.5 83.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -63.2 -33.24 75.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.284 0.564 . . . . 0.0 110.302 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 7.9 tpm_? -63.33 -33.28 75.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.7 tp60 -105.3 -44.4 4.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mm -71.8 -35.68 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.597 -174.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 70' ' ' LEU . 63.6 m-85 -108.03 -29.14 9.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.954 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 62.29 29.61 17.37 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 40' ' ' ASP . 21.8 mmm180 65.86 -157.91 0.27 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.207 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER 72.43 9.16 5.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.21 0.529 . . . . 0.0 111.162 -176.406 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.407 HG12 ' H ' ' A' ' 41' ' ' ILE . 10.8 pt -80.43 151.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.284 171.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.764 HG23 ' HG3' ' A' ' 43' ' ' LYS . 14.3 t -158.69 -168.5 2.43 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.247 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.764 ' HG3' HG23 ' A' ' 42' ' ' THR . 95.6 mttt 62.05 36.56 15.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 111.093 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 66.92 2.34 2.64 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.058 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' HB3' HD12 ' A' ' 49' ' ' ILE . 6.5 m-85 72.81 -46.97 0.66 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.775 0.83 . . . . 0.0 110.955 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 63.7 m 81.57 101.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 166.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 54.17 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 163.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.0 m -52.54 -40.48 62.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.184 -172.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 45' ' ' TYR . 36.0 mt -65.79 -34.74 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.976 0.417 . . . . 0.0 110.824 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -77.3 -34.09 55.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.898 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -61.79 -45.0 95.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.845 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.2 mt -62.26 -38.93 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.627 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.53 -50.35 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.177 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.561 ' HA ' ' CG ' ' A' ' 57' ' ' ARG . 13.1 t -65.03 -38.38 90.7 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.66 -42.88 99.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 111.512 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.14 -25.72 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.153 -176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' O ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 ppt_? -74.79 -21.93 59.04 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.004 -0.435 . . . . 0.0 111.268 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.2 -14.86 25.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.159 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.31 17.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.861 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.08 -40.82 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -114.39 153.34 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.279 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.1 p -83.35 173.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.84 -35.29 80.14 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.516 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -68.67 -28.86 67.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.166 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.767 ' HB3' HH21 ' A' ' 69' ' ' ARG . 45.4 mt-10 -77.54 -37.13 51.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.939 0.4 . . . . 0.0 110.13 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.579 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 18.7 t80 -64.02 -50.06 69.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.67 -47.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 176.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -57.79 -44.11 86.05 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.503 0.668 . . . . 0.0 110.484 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.767 HH21 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -69.38 -38.8 78.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 83.2 mt -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.97 -27.47 65.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.043 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 121' ' ' PRO . 47.1 mttp -81.79 6.72 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.0 p -77.99 149.37 76.71 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-O 120.847 0.356 . . . . 0.0 110.743 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 17.1 Cg_endo -59.19 -30.3 92.71 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.511 2.141 . . . . 0.0 111.295 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 1.9 mm? -63.8 -51.93 62.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.113 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -63.49 -46.98 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.28 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 14.0 ptt180 -70.55 -25.37 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.224 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.0 tmtt? -70.98 -43.61 67.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.007 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 76.3 mm-40 -75.08 -14.81 60.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.48 -46.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 120' ' ' LEU . 53.6 t80 -78.71 -14.55 59.23 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.48 -172.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.7 tt0 -93.15 -59.32 0.21 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 84.1 Cg_endo -80.53 3.01 8.07 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.999 1.799 . . . . 0.0 112.98 -174.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 88' ' ' ARG . 81.1 m-85 -131.34 156.11 46.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.6 HG13 ' H ' ' A' ' 88' ' ' ARG . 33.0 pt -75.23 159.32 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -55.74 -31.03 62.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -69.88 -41.46 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.03 0.443 . . . . 0.0 110.624 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.6 ' H ' HG13 ' A' ' 85' ' ' ILE . 11.1 tpp180 -73.74 -38.96 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.05 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.692 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 108' ' ' VAL . 22.4 tp -64.76 -46.27 82.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.906 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.03 -50.46 66.62 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.807 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.4 mt -63.2 -38.58 91.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.99 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.35 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 24.2 m-85 -59.96 -40.75 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.504 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 28.1 ttm-85 -83.25 -14.94 52.14 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.633 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -96.83 -39.52 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.187 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.53 -34.82 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 0.0 110.775 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.86 -40.49 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 88.22 -22.91 16.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.968 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 100' ' ' ARG . 19.4 ttt180 -66.1 -44.18 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.857 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.63 157.27 30.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.034 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' HG22 ' A' ' 108' ' ' VAL . 51.5 Cg_exo -55.16 125.05 17.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.385 2.724 . . . . 0.0 112.398 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -123.68 -26.24 4.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.918 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.0 m -129.28 148.21 51.19 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -60.3 -56.48 20.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.991 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.5 -38.49 71.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 111' ' ' TYR . 24.5 tt0 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.83 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 90' ' ' LEU . 93.3 t -56.9 -47.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.917 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -62.25 -36.63 82.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.385 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -60.6 -52.7 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' HD2' ' O ' ' A' ' 107' ' ' GLU . 96.7 m-85 -76.67 -22.57 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.24 -176.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.19 -37.88 88.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.895 0.379 . . . . 0.0 110.017 174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -42.31 94.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.887 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.64 -47.3 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.59 -20.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.743 0.306 . . . . 0.0 111.143 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 m -85.24 -53.14 5.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 111.194 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.7 t -74.8 -46.76 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.01 -175.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.57 -57.13 1.78 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.834 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.62 179.88 17.05 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.911 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.573 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 44.4 tp -64.4 -46.93 78.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.22 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.8 Cg_endo -54.68 -36.16 89.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.172 1.915 . . . . 0.0 112.264 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.4 -34.69 65.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.8 -42.91 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.79 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.87 -46.31 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.53 176.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.17 -47.61 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.624 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.89 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.962 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.27 -48.64 16.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.71 -20.54 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.984 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.38 -4.62 49.14 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.0 t -80.7 111.98 17.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.49 -26.66 68.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -55.91 -46.96 78.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.574 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.46 -30.74 37.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.55 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.05 95.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.73 -30.83 63.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.398 0.618 . . . . 0.0 110.255 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -64.08 -50.49 68.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.014 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.27 -41.47 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.824 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.27 172.77 17.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.877 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.22 -19.35 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.717 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -102.45 -35.54 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.25 -177.277 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 5.3 m -81.88 141.17 33.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.28 127.99 88.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -31.33 104.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 124.291 3.328 . . . . 0.0 113.373 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.24 78.69 8.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.8 -173.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.56 -51.82 18.23 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.474 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -87.25 92.88 9.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.486 0.66 . . . . 0.0 111.799 -175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -116.01 -80.97 0.87 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 171.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.9 mt 68.59 149.12 0.07 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.687 0.756 . . . . 0.0 112.906 172.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.0 63.32 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.664 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.25 42.46 0.58 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.222 0.534 . . . . 0.0 111.342 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -150.56 -62.07 0.2 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.255 176.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -158.5 136.58 10.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.714 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 155' ' ' HIS . 71.2 t60 -70.44 115.84 10.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -72.7 -6.59 45.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.019 -175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' HIS . . . . . 0.466 ' HA ' ' NE2' ' A' ' 153' ' ' HIS . 96.6 m-70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.099 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.479 0.627 0 N-CA-C 110.687 -0.544 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -86.33 -67.08 0.84 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.043 0.449 . . . . 0.0 109.847 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -140.44 -35.61 0.5 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.542 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.5 t80 63.69 83.84 0.16 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -108.47 37.2 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.001 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.13 100.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.303 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.67 137.76 20.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.93 11.1 9.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.479 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.69 24.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 10' ' ' LYS . 31.3 pttt -62.63 -55.48 26.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.356 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 68.52 -9.09 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 67.12 -174.06 0.19 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.268 0.627 . . . . 0.0 111.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -82.19 149.53 27.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.107 0.48 . . . . 0.0 111.558 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -82.61 136.46 34.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.488 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.7 26.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mmt -89.37 110.55 21.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.224 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -122.4 134.89 25.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.728 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.32 117.77 4.64 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.091 1.86 . . . . 0.0 110.366 171.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.18 -10.48 9.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.4 142.7 30.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -78.27 172.18 13.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.69 72.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.236 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.72 -47.14 76.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 mp0 -59.7 -47.51 85.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.517 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 29' ' ' ILE . 95.1 mttt -63.11 -40.74 98.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.02 -43.59 82.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.651 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.87 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.855 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 24' ' ' GLU . 97.2 t -65.18 -41.05 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 25' ' ' LYS . 80.5 mt -63.21 -47.27 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.77 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -62.45 -38.88 91.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.617 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.75 99.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.409 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.41 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.28 -41.47 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.961 0.41 . . . . 0.0 111.209 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -74.7 -19.44 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.785 -177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -100.06 -18.35 17.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -89.33 -51.38 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -93.04 -34.24 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 58.46 27.2 15.19 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HG2' ' N ' ' A' ' 40' ' ' ASP . 22.7 ttt180 -163.83 165.13 23.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 16.1 t0 -63.55 129.27 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.571 HG13 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -84.17 21.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.221 0.534 . . . . 0.0 110.984 -176.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 41' ' ' ILE . 34.2 m 81.38 104.0 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.867 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -66.48 52.86 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.26 -13.28 6.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.622 171.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE2' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -66.83 167.37 11.55 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.655 177.392 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -173.64 -81.98 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 pm0 -65.53 -29.79 70.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -167.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 m -67.89 -32.19 72.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.581 . . . . 0.0 110.284 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 45' ' ' TYR . 16.8 mt -69.06 -50.32 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.966 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 m -56.79 -36.86 70.35 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.079 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.61 -57.69 10.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.66 -36.9 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -54.49 -53.75 50.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -63.21 -34.34 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.53 -50.04 68.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.079 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -74.82 -29.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 0.0 110.756 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.32 -38.12 82.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 178.626 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -91.04 -0.61 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.446 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.5 28.83 62.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.323 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.06 -29.06 57.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 28.8 pt -131.78 147.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.554 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.592 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 19.9 m -72.67 164.99 25.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 176.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 67' ' ' VAL . 95.5 mmm -64.69 -36.09 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.86 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' OE1' ' A' ' 65' ' ' GLU . 13.8 ptmm? -62.86 -32.29 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 5.1 mm-40 -75.62 -41.19 54.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.61 -44.74 93.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.501 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 63' ' ' MET . 94.1 t -62.81 -43.59 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HB2' HG11 ' A' ' 128' ' ' VAL . 45.1 ttp180 -62.67 -35.43 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 69' ' ' ARG . 2.1 mmp_? -63.97 -52.21 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.028 175.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.38 -47.1 86.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.93 -21.94 64.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.391 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.668 ' HE3' ' HB3' ' A' ' 125' ' ' ASP . 63.3 mttt -93.55 -4.13 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.586 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.6 m -74.25 142.24 78.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.18 -27.87 18.44 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.457 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.503 HD21 ' HB ' ' A' ' 41' ' ' ILE . 32.7 tp -64.58 -48.81 73.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.76 0.314 . . . . 0.0 111.127 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.16 -37.18 66.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 109.909 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.83 -24.51 66.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.222 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -70.74 -25.51 62.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.064 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -102.1 169.3 8.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.977 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 65.5 m-85 69.39 -49.13 0.61 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -79.89 -36.71 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.585 ' H ' ' HD2' ' A' ' 83' ' ' PRO . 34.8 tt0 -99.31 -54.41 0.18 Allowed Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.585 ' HD2' ' H ' ' A' ' 82' ' ' GLU . 18.3 Cg_endo -61.8 -36.02 75.84 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.793 1.662 . . . . 0.0 111.923 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 85.3 m-85 -108.53 171.66 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.515 HG13 ' H ' ' A' ' 88' ' ' ARG . 37.6 pt -89.6 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 26.2 p30 -62.91 -21.45 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.591 0.234 . . . . 0.0 111.534 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -68.03 -30.48 69.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.146 0.498 . . . . 0.0 109.889 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' H ' HG13 ' A' ' 85' ' ' ILE . 10.2 tpt180 -86.81 -36.83 18.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.795 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -59.38 -33.8 71.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.853 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -59.8 -47.58 85.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.074 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.43 -48.77 79.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.57 -44.37 93.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.185 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.86 76.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.724 0.297 . . . . 0.0 111.122 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 9.9 m-85 -64.01 -34.91 79.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.878 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.55 -29.57 27.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.177 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.05 -44.41 11.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.148 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.0 mt -83.16 -54.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.978 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -80.66 -19.26 45.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.827 -176.378 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 15.02 81.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.647 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -132.22 -78.72 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.957 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.516 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 136.49 172.03 12.45 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.43 118.24 5.29 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.536 2.157 . . . . 0.0 111.761 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.0 p -92.21 -54.33 3.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.027 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.9 m -100.97 151.75 21.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 -176.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -63.52 -36.39 83.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 106' ' ' GLU . 25.4 mp0 -59.24 -44.48 92.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.591 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.85 -40.75 94.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.35 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' SER . 76.2 t -59.78 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.804 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.94 -29.24 69.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.766 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.05 -58.35 8.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.461 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 79.4 m-85 -77.8 -24.74 48.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.623 -175.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.79 -36.34 84.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.185 0.517 . . . . 0.0 109.728 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -65.41 -38.87 91.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.756 176.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 111' ' ' TYR . 63.5 mt -61.3 -50.02 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.103 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 120' ' ' LEU . 11.4 p -68.19 -22.75 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.025 0.441 . . . . 0.0 111.109 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.3 t -79.29 -24.98 42.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.139 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.4 m -93.05 -60.63 1.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.576 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.06 6.52 59.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.643 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 115' ' ' VAL . . . 81.15 -166.36 48.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.465 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 52.3 tp -61.77 -49.23 87.08 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 11.3 Cg_endo -54.66 -35.19 86.33 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.382 2.055 . . . . 0.0 113.315 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.448 ' HA ' ' OD2' ' A' ' 125' ' ' ASP . . . -63.99 -35.31 80.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.984 0.421 . . . . 0.0 111.124 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 69.7 tp -67.25 -38.41 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.451 0.643 . . . . 0.0 109.959 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.0 t -62.87 -52.11 63.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.2 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.668 ' HB3' ' HE3' ' A' ' 72' ' ' LYS . 2.5 p30 -69.32 -25.12 64.06 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.861 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.44 97.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.405 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 133' ' ' TYR . 96.7 mt -76.19 -48.1 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.383 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' A' ' 68' ' ' ARG . 89.5 t -72.4 -29.33 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -78.11 -25.58 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.982 -0.449 . . . . 0.0 111.516 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 t -60.27 125.91 25.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.489 . . . . 0.0 110.681 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -21.25 63.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.12 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.316 0.579 . . . . 0.0 110.0 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 11.4 m-85 -79.48 -25.39 41.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.459 -177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.86 88.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.69 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.25 -33.36 59.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.113 0.483 . . . . 0.0 110.646 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.47 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 55.3 t80 -61.54 -43.38 98.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.478 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.462 ' HZ ' ' HA ' ' A' ' 98' ' ' LEU . 68.7 m-85 -94.27 -41.25 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.282 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.24 131.39 7.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 33.0 mt-10 -67.28 -23.73 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -86.58 -25.89 24.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.297 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.1 m -91.16 144.18 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -171.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.465 ' O ' ' HD2' ' A' ' 144' ' ' TYR . 45.5 t -79.0 122.17 84.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.402 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -56.44 116.41 3.17 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.653 2.235 . . . . 0.0 112.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.465 ' HD2' ' O ' ' A' ' 142' ' ' VAL . 53.2 p90 -133.13 156.4 47.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 110.37 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.708 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -87.39 108.99 19.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.126 0.489 . . . . 0.0 110.682 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.26 -146.94 5.91 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.6 mt 58.44 33.02 22.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.087 0.47 . . . . 0.0 110.826 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.82 107.63 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.56 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -82.51 -168.89 2.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -65.84 107.74 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -121.32 131.56 54.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.047 0.451 . . . . 0.0 111.053 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -72.96 -53.56 10.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.331 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -168.61 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 114.322 -1.308 . . . . 0.0 108.506 166.194 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HD11 ' A' ' 20' ' ' LEU . . . -148.44 135.33 20.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.4 mmt -80.02 92.5 5.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 109.778 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -135.24 154.54 78.84 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.616 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 110.55 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.851 2.367 . . . . 0.0 112.565 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.87 41.53 0.34 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.356 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 15' ' ' ALA . 90.9 mt -120.39 128.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.544 0.211 . . . . 0.0 110.587 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.8 m -81.49 172.11 13.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.001 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.86 79.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.315 . . . . 0.0 111.679 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.75 -37.18 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.872 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.4 mm-40 -67.03 -49.15 66.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.018 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.14 -35.63 79.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.96 -45.34 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.527 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.05 88.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.062 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 85.4 t -59.14 -49.29 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.85 -47.94 88.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.04 -36.49 83.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.735 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.25 87.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.588 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 74.2 m-85 -62.53 -41.71 99.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.743 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 24.9 mmm-85 -66.46 -18.97 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.847 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 4.4 tp-100 -94.04 -44.92 7.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.839 0.352 . . . . 0.0 111.075 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.485 HD11 HG13 ' A' ' 67' ' ' VAL . 46.3 mt -77.28 -40.66 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -176.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -96.13 -2.03 47.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.6 pt-20 . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 124.682 1.193 . . . . 0.0 113.262 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 p -161.23 -156.36 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.996 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 67.73 -81.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 110.868 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 m -64.83 -35.41 81.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.038 0.447 . . . . 0.0 109.835 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 65.0 mt -64.29 -41.91 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.39 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 4.8 m -66.78 -35.92 81.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.386 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.45 -43.29 70.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.771 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 48' ' ' SER . 96.4 mt -64.9 -34.26 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.231 176.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' SER . 34.1 tt0 -55.74 -55.7 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.331 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -64.79 -37.25 86.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.368 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -58.9 -47.08 86.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 111.458 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.48 -25.28 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.898 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.673 0.273 . . . . 0.0 110.791 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.97 -22.29 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.29 24.24 57.35 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.06 -44.59 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.262 0.553 . . . . 0.0 109.973 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -109.33 152.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -73.23 150.62 41.9 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.2 tpt -63.83 -18.52 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.422 0.63 . . . . 0.0 110.239 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -70.12 -43.83 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.823 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 31.3 tt0 -69.77 -36.31 75.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.018 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 89.4 t80 -53.98 -48.12 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.991 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.485 HG13 HD11 ' A' ' 36' ' ' ILE . 53.5 t -65.95 -47.8 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.118 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.769 ' HG2' ' HA ' ' A' ' 65' ' ' GLU . 21.7 ptt180 -64.94 -29.96 70.93 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.964 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HE ' ' HG2' ' A' ' 65' ' ' GLU . 61.6 mtt180 -64.6 -48.39 75.11 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.5 mt -61.69 -45.77 92.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.392 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.67 63.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.935 0.398 . . . . 0.0 111.525 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -97.87 3.86 49.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.096 0.474 . . . . 0.0 110.611 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.4 m -75.63 149.23 83.42 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -55.01 -26.66 50.69 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.234 2.622 . . . . 0.0 112.705 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.39 -57.62 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 0.0 110.479 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.22 -36.91 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 109.742 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.571 ' HA ' HD23 ' A' ' 120' ' ' LEU . 58.8 ttt180 -61.9 -31.84 72.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.235 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.57 -52.26 4.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.245 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.94 -29.42 68.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.74 16.36 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -141.48 -35.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.527 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 10.3 tp10 -55.3 -52.57 70.38 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 19.5 Cg_endo -93.44 20.31 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.333 2.022 . . . . 0.0 111.903 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.75 -173.39 3.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.942 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 pt -127.73 179.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.933 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -57.41 -47.03 82.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.169 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.1 p -65.45 -32.66 74.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -79.04 -37.65 38.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.348 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 120' ' ' LEU . . . -63.57 -33.82 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 175.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.98 -51.72 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.74 -44.65 96.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.39 -43.27 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.78 67.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 10.5 m-85 -54.6 -45.08 73.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 95' ' ' ARG . 42.7 ttm180 -63.97 -32.09 73.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.72 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -86.54 -41.27 14.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.412 HD12 HD12 ' A' ' 127' ' ' LEU . 77.8 mt -84.69 -52.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.82 0.343 . . . . 0.0 111.877 -174.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 127' ' ' LEU . 77.8 mt -95.72 -24.86 16.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.887 0.375 . . . . 0.0 111.332 -174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.87 86.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.846 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 44.6 ttp180 -131.07 138.36 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.65 161.67 40.68 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.327 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.653 ' HB2' HG22 ' A' ' 108' ' ' VAL . 9.2 Cg_endo -54.12 115.35 2.3 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.617 2.211 . . . . 0.0 111.179 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -101.95 -44.51 5.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.407 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 108' ' ' VAL . 11.8 m -94.59 144.44 25.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.029 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -58.63 -44.82 90.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -57.02 -46.71 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.628 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 104' ' ' SER . 66.5 tt0 -57.04 -52.84 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.291 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' A' ' 102' ' ' PRO . 85.3 t -51.3 -59.99 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.047 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.84 -25.86 64.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -66.82 -55.9 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -77.56 -22.91 50.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 115' ' ' VAL . 81.2 t80 -62.38 -36.68 83.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.3 m -64.89 -36.7 85.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.482 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.94 -45.98 79.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 112' ' ' PHE . 8.0 p -72.87 -17.94 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 111.501 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 m -85.22 -39.45 17.77 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.218 -0.301 . . . . 0.0 111.193 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.0 p -89.06 -64.28 1.17 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.707 0.289 . . . . 0.0 111.643 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.83 -25.61 62.15 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.984 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.77 23.79 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.745 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.571 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.1 tp -63.89 -47.96 79.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.718 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -53.53 -38.07 83.19 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.25 74.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.33 -39.4 94.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.744 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 120' ' ' LEU . 91.8 t -58.45 -52.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.87 -38.76 86.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.944 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.67 95.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.733 0.301 . . . . 0.0 111.457 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 98' ' ' LEU . 95.7 mt -77.45 -50.06 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.398 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' ARG . 92.8 t -66.28 -46.81 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.708 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.98 5.04 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 111.374 -174.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.6 t -57.35 119.04 5.77 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.924 0.393 . . . . 0.0 110.211 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.835 HE21 ' HA ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -62.99 -28.05 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.692 -176.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.44 -57.87 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.165 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 137' ' ' PHE . 1.6 m-85 -68.52 -22.27 64.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.384 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.49 -61.66 1.93 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.078 0.466 . . . . 0.0 111.624 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -68.2 -32.51 72.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -90.4 -21.86 21.74 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 133' ' ' TYR . 54.2 m-85 -100.64 -27.4 13.41 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.26 146.65 18.25 Favored Glycine 0 C--O 1.222 -0.65 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.837 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -85.27 -16.74 39.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -172.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.08 -35.57 21.75 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.7 m -62.73 128.86 37.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 143' ' ' PRO . 60.0 t -75.03 135.9 73.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 142' ' ' VAL . 72.8 Cg_endo . . . . . 0 N--CA 1.46 -0.493 0 C-N-CA 122.385 2.056 . . . . 0.0 112.662 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' HB2' ' HB ' ' A' ' 142' ' ' VAL . 90.9 m-85 . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -111.2 133.52 53.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.837 -173.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 28' ' ' VAL . 34.7 mtp -88.32 70.2 9.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.292 0.568 . . . . 0.0 109.734 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -102.47 148.72 35.88 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.422 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 135.13 67.52 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.948 2.432 . . . . 0.0 112.142 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.1 41.25 2.47 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.256 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -131.24 175.93 8.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.516 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 21.6 t -106.72 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.96 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.55 87.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.189 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -40.45 94.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 21' ' ' SER . 21.2 mm-40 -60.17 -47.06 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.467 . . . . 0.0 110.216 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' ILE . 96.5 mttt -67.59 -36.4 80.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -61.84 -38.5 88.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.041 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.85 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.221 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 16' ' ' MET . 79.0 t -61.17 -44.02 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.857 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 25' ' ' LYS . 48.0 mm -59.22 -46.83 91.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.81 -42.8 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.71 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.776 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.876 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -58.87 -41.12 86.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.324 . . . . 0.0 111.482 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.3 ttp180 -62.72 -34.05 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.649 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.59 -17.88 14.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.8 mm -80.93 -40.56 18.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.25 -29.76 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.538 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.493 0.663 . . . . 0.0 110.222 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' HD12 ' A' ' 49' ' ' ILE . 22.8 m-85 . . . . . 0 N--CA 1.461 0.078 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 32.9 p -156.38 19.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -65.05 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.04 0.448 . . . . 0.0 110.557 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 5.0 m -70.16 -20.14 63.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 57.5 mt -68.98 -49.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 46' ' ' SER . 49.3 m -71.75 -26.74 62.58 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 79.7 t80 -58.33 -52.32 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 48' ' ' SER . 90.3 mt -64.25 -33.25 75.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.012 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -59.24 -50.71 72.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.315 177.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 p -64.14 -28.36 69.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.7 0.286 . . . . 0.0 110.862 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.9 mm100 -64.45 -52.39 58.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 16' ' ' MET . 14.1 p -71.74 -33.4 48.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.901 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 57' ' ' ARG . 12.5 ttm180 -61.49 -45.92 92.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.558 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -75.34 -9.91 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 26.86 35.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.59 -41.61 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.156 0.503 . . . . 0.0 109.751 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.7 pt -123.96 148.72 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.725 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 p -87.4 163.41 16.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 67' ' ' VAL . 17.9 mmt -60.54 -31.44 70.54 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.27 -47.38 65.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.219 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -80.78 -31.33 35.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.371 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.03 -49.7 76.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.106 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 63' ' ' MET . 90.2 t -60.81 -46.84 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.449 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -55.97 -47.49 77.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.473 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.84 -38.59 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.742 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.51 -19.7 61.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.459 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.57 -0.3 32.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.4 p -71.07 144.61 90.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.48 -32.22 93.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.85 -48.27 79.75 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.962 0.41 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -63.54 -44.64 93.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.63 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 120' ' ' LEU . 71.5 ttt180 -58.47 -33.93 70.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.71 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -80.27 -56.37 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.47 -12.94 60.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.3 t80 -103.02 -17.83 15.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.591 0.234 . . . . 0.0 111.501 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD22 ' A' ' 120' ' ' LEU . 72.2 t80 -120.51 -37.17 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 42.9 tt0 -69.06 -52.47 15.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 71.8 Cg_endo -77.76 11.23 2.3 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.894 1.729 . . . . 0.0 112.752 -178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.12 160.1 31.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 88' ' ' ARG . 25.7 pt -84.42 153.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -52.7 -43.65 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.527 0.517 . . . . 0.0 111.777 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 13.4 p -66.67 -40.15 88.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.574 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.465 ' H ' HG13 ' A' ' 85' ' ' ILE . 22.3 ttm180 -77.72 -29.07 51.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 110.632 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.12 81.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 87' ' ' SER . 40.9 mt-10 -59.52 -45.39 91.88 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.773 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -64.65 -43.48 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.138 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.41 78.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -55.21 -48.67 73.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.257 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -80.87 -19.76 43.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.855 -171.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -89.75 -38.99 13.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.703 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.512 HD12 HD12 ' A' ' 127' ' ' LEU . 73.1 mt -88.09 -54.35 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.481 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.13 -27.69 15.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.278 -176.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.65 67.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.187 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' A' ' 103' ' ' SER . 33.8 mtp85 -97.38 -171.69 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.046 0.45 . . . . 0.0 111.311 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.96 173.36 24.13 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HB3' HG22 ' A' ' 108' ' ' VAL . 70.1 Cg_exo -52.3 108.03 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.076 2.517 . . . . 0.0 112.585 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.478 ' HB2' HH21 ' A' ' 100' ' ' ARG . 29.7 t -78.45 -42.95 28.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.6 p -144.59 160.54 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -58.97 -33.58 70.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.663 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.86 -40.73 72.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.8 -46.62 89.82 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' SER . 93.9 t -55.93 -57.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.996 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.57 -27.59 68.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.974 -175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.76 -53.74 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.111 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.3 m-85 -79.82 -25.4 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.195 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.38 -40.04 92.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.095 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.7 m -65.59 -37.41 86.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.067 0.461 . . . . 0.0 110.259 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 111' ' ' TYR . 68.8 mt -64.18 -51.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.29 -27.4 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 111.117 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 m -81.41 -14.12 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.186 -0.321 . . . . 0.0 111.262 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -97.83 -45.22 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.13 -1.87 29.9 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.341 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.57 -171.27 49.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.25 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 38.2 tp -61.16 -48.84 90.77 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -53.96 -32.69 69.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.365 2.043 . . . . 0.0 112.999 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.57 59.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.868 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.28 -43.81 93.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.79 -43.83 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.898 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.38 -51.31 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.058 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.51 68.15 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.607 0.567 . . . . 0.0 112.399 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.512 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -85.1 -38.24 19.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.752 0.31 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.76 -24.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.08 -18.73 62.53 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.215 -0.303 . . . . 0.0 111.388 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.4 m -58.47 130.83 48.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.92 -29.61 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.521 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.27 -41.17 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.031 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.914 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 79.6 t80 -64.61 -50.09 68.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.901 177.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.72 85.16 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.99 -62.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.43 -41.98 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.668 0.27 . . . . 0.0 111.513 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.914 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 47.3 m-85 -86.86 -41.45 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.71 120.1 4.36 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.522 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.79 -14.65 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.52 0.676 . . . . 0.0 109.781 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 22.0 mt-10 -92.83 -2.83 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.088 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.8 m -94.76 135.87 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.529 -171.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 14' ' ' TYR . 50.0 t -91.78 140.14 24.94 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 168.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 142' ' ' VAL . 80.3 Cg_exo . . . . . 0 C--N 1.353 0.779 0 C-N-CA 125.081 3.854 . . . . 0.0 115.055 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.449 0.642 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.1 132.71 32.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -81.04 95.69 6.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.448 0.642 . . . . 0.0 110.035 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 61.1 mttm -98.1 144.48 28.12 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.65 107.02 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.636 2.224 . . . . 0.0 110.986 173.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -17.99 4.27 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.144 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.19 140.09 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -74.62 167.84 20.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HB1' ' NH2' ' A' ' 57' ' ' ARG . . . -56.91 -45.13 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.948 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.58 -38.98 86.39 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 28' ' ' VAL . 33.3 mm-40 -66.5 -41.78 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.817 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -38.78 90.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.37 -42.66 87.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.172 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.21 87.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 24' ' ' GLU . 47.6 t -66.12 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.572 HD13 ' HB2' ' A' ' 53' ' ' GLU . 64.2 mt -64.96 -44.77 96.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.19 0.519 . . . . 0.0 110.2 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -61.61 -42.74 99.31 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.979 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.96 90.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.636 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.96 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.87 -31.33 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.36 -42.8 9.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.349 . . . . 0.0 111.722 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mm -72.83 -43.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.681 0.277 . . . . 0.0 111.665 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -109.97 -34.03 6.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.242 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.813 0.816 . . . . 0.0 109.718 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.671 ' HB3' HD23 ' A' ' 75' ' ' LEU . 22.9 p90 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.27 0.557 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -59.97 151.3 26.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.81 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.67 -8.78 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.823 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.7 t -57.35 -27.45 62.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.181 175.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.0 -39.63 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.339 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 12.3 t -72.38 -31.26 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.546 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 35.8 t80 -66.4 -38.6 87.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.808 176.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.3 mt -61.22 -46.54 90.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.362 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB2' HD13 ' A' ' 29' ' ' ILE . 12.4 pt-20 -66.63 -32.9 74.52 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.664 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.5 p -71.85 -33.1 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.931 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 44.5 mt-30 -68.62 -48.92 62.85 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.834 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -64.35 -34.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' NH2' ' HB1' ' A' ' 22' ' ' ALA . 28.3 ttt180 -61.93 -48.72 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.94 -21.6 62.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 28.67 6.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.781 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 42.8 m-20 -82.0 -37.5 26.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.908 0.385 . . . . 0.0 110.719 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.2 pt -126.77 149.37 31.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.306 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -77.63 168.29 20.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 37.1 tpp -62.98 -37.17 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.227 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 28.7 ttpt -57.06 -39.48 75.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.337 0.589 . . . . 0.0 109.958 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 69' ' ' ARG . 74.4 mm-40 -74.29 -33.05 63.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.788 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.0 t80 -62.36 -43.66 98.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 63' ' ' MET . 94.3 t -59.31 -46.35 92.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.419 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB2' HG11 ' A' ' 128' ' ' VAL . 2.3 ttm180 -53.8 -48.66 69.63 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 65' ' ' GLU . 4.2 mpt_? -69.08 -36.77 77.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.564 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 70.7 mt -67.11 -38.06 84.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.674 0.273 . . . . 0.0 111.06 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.8 -24.95 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.973 0.416 . . . . 0.0 110.739 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -81.52 -12.66 58.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.077 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.8 m -75.43 148.42 83.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.188 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.66 -42.3 50.58 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.633 2.889 . . . . 0.0 113.465 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' ' 45' ' ' TYR . 3.5 mm? -64.95 -23.37 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.79 -45.92 11.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.389 0.614 . . . . 0.0 109.76 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' HD23 ' A' ' 120' ' ' LEU . 21.1 mtp180 -70.64 -45.2 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.701 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.37 -13.75 60.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.531 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.795 HE21 ' HA ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -106.82 -46.18 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.88 -18.29 21.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 87.5 t80 -89.6 -71.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.4 tt0 -75.51 -49.68 3.71 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 93.8 Cg_exo -47.92 -34.29 22.05 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 122.335 2.023 . . . . 0.0 113.191 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 m-85 -87.46 -83.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.525 HG23 ' H ' ' A' ' 88' ' ' ARG . 10.8 tp 167.89 155.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -53.53 -47.86 69.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.1 m -60.57 -26.66 67.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.005 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.525 ' H ' HG23 ' A' ' 85' ' ' ILE . 15.1 tpp180 -86.33 -38.27 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 81' ' ' PHE . . . -62.81 -40.95 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.586 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 49.5 tp -57.69 -47.13 83.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.32 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -66.19 -46.28 77.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.031 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.23 -50.43 70.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.745 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.26 86.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.154 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.19 -58.97 5.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.823 -178.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 16.7 ptt85 -74.58 -18.39 60.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.782 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.6 -28.89 22.99 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.36 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.9 mt -99.48 -49.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.166 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.24 -5.15 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.46 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.87 -30.26 3.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.715 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -109.86 130.93 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.801 -0.235 . . . . 0.0 110.525 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.18 166.76 54.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.138 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.02 125.7 19.95 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.11 2.54 . . . . 0.0 112.396 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 m -107.86 -50.46 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.9 t -102.29 147.16 27.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.978 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -65.25 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.294 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.28 -43.14 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.3 -47.07 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.383 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 104' ' ' SER . 85.7 t -58.17 -54.44 32.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.763 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.36 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 111.5 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.32 -44.89 95.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -89.89 -25.61 20.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.58 -39.89 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.421 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 p -70.25 -24.37 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.657 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.92 -48.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.41 -24.98 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.287 0.565 . . . . 0.0 110.611 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -30.05 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.043 0.449 . . . . 0.0 110.143 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.1 t -82.85 -62.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.106 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -108.37 15.98 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.302 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.36 -160.52 53.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.861 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.617 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.3 tp -67.22 -46.7 51.17 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.145 -0.455 . . . . 0.0 112.149 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.5 Cg_endo -49.04 -45.88 27.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.533 2.155 . . . . 0.0 113.134 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.72 94.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.96 0.41 . . . . 0.0 110.818 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 56.0 tp -64.69 -43.45 93.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.213 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' LEU . 93.6 t -57.07 -52.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.986 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.94 -41.34 91.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.362 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.88 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.558 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 93.1 mt -82.53 -51.83 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.168 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 68' ' ' ARG . 75.5 t -63.63 -47.18 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -172.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.49 17.67 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.635 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 p -65.76 127.86 33.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.45 -24.49 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.349 -172.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 41.8 mt-10 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.03 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.428 ' OH ' ' HG3' ' A' ' 143' ' ' PRO . 29.3 t80 -66.39 -45.93 78.37 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.746 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.0 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.836 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.05 -33.93 26.34 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.462 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 16.2 t80 -62.05 -55.64 27.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.983 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -94.46 -41.75 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.127 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 113.68 149.66 10.3 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.706 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -89.69 -15.61 32.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -177.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.37 -23.95 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.981 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.4 m -90.56 145.39 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.805 -172.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.84 131.1 68.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.495 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HG3' ' OH ' ' A' ' 133' ' ' TYR . 33.3 Cg_exo . . . . . 0 C--N 1.344 0.314 0 C-N-CA 122.744 2.296 . . . . 0.0 112.095 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.696 0.284 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.55 133.4 14.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.3 tpp -86.11 90.81 8.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.21 0.529 . . . . 0.0 109.895 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -121.42 148.68 50.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.026 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.55 -27.91 78.72 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.209 2.606 . . . . 0.0 113.443 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 34.93 2.44 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.187 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 71.1 mt -125.05 135.03 52.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 18.9 m -81.08 -177.78 6.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.207 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.73 81.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.733 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -47.27 80.11 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.873 0.368 . . . . 0.0 111.024 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 2.6 mp0 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.554 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 37.2 mttp -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.252 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -57.74 -45.47 85.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.673 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.06 94.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.677 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.569 HG13 HG21 ' A' ' 142' ' ' VAL . 90.6 t -63.07 -48.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.156 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 25' ' ' LYS . 41.5 mm -59.54 -48.28 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.225 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.15 -42.47 96.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.347 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.36 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.1 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.122 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HZ ' ' A' ' 66' ' ' PHE . 55.4 m-85 -66.18 -36.36 82.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.106 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 2.0 ttp180 -78.38 -6.4 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.039 -177.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HG2' ' HB2' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -103.84 -25.76 12.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.86 0.362 . . . . 0.0 111.016 177.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.7 -40.4 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -112.56 -4.41 14.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.82 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mp0 . . . . . 0 N--CA 1.468 0.438 0 C-N-CA 123.383 0.673 . . . . 0.0 112.519 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 121.136 0.493 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -143.62 4.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.91 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 69.83 -41.59 0.49 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.7 m -59.43 -22.57 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.9 mm -64.15 -47.08 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.982 176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.191 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 64.2 t80 -58.21 -49.19 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.547 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' SER . 85.4 mt -68.79 -44.04 74.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.77 -47.05 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.965 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -62.98 -48.46 78.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.928 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 50.2 mt-30 -54.44 -52.92 60.28 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.81 -34.86 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.961 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 57' ' ' ARG . 17.6 ttm180 -67.72 -41.51 83.39 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.93 0.395 . . . . 0.0 110.652 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -67.25 -21.59 65.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.99 18.32 40.5 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.62 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.04 -44.81 25.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.772 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 39.1 pt -120.27 167.67 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.401 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -99.48 176.04 5.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.998 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.42 -30.23 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.77 -54.1 43.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.348 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 46.7 mm-40 -63.9 -37.36 87.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.587 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HZ ' ' CZ ' ' A' ' 33' ' ' TYR . 41.2 t80 -64.44 -52.2 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.052 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.4 -42.18 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.218 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.569 ' HB2' HG11 ' A' ' 128' ' ' VAL . 29.8 ttm105 -54.57 -51.64 64.62 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.117 0.484 . . . . 0.0 110.894 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -70.31 -25.43 63.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.477 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -73.32 -45.91 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.669 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.67 62.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -76.18 -18.31 59.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.787 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.5 m -71.57 149.39 93.38 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-O 121.323 0.582 . . . . 0.0 111.857 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.66 -26.03 62.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.046 2.497 . . . . 0.0 112.074 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.84 -36.35 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.146 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.489 ' HD2' HD21 ' A' ' 120' ' ' LEU . 45.2 t80 -80.72 -27.86 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.808 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -59.09 -28.49 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 172.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -93.51 -38.87 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.249 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -98.5 112.01 24.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.437 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 68.42 22.86 7.72 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -100.01 -45.48 5.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 167.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 8.7 mm-40 61.22 104.04 0.03 OUTLIER Pre-proline 0 N--CA 1.457 -0.098 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.578 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.7 65.53 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.645 2.896 . . . . 0.0 112.417 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.683 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 97.2 m-85 -133.31 -162.32 1.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.414 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.499 HG12 ' H ' ' A' ' 87' ' ' SER . 15.7 tt -63.6 135.33 27.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.001 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -61.71 -17.42 55.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.2 m -61.47 -14.56 29.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.902 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -104.54 -42.25 5.49 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.425 0.631 . . . . 0.0 110.723 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.62 70.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.645 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.88 -58.8 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -64.97 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.246 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.27 -43.84 96.81 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.043 0.449 . . . . 0.0 110.473 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.33 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.383 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 98' ' ' LEU . 9.0 m-85 -55.94 -38.11 69.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.297 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -60.07 -50.28 74.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.553 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.457 ' HE2' ' CD ' ' A' ' 38' ' ' GLU . 11.0 m80 -80.54 -33.91 35.93 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.4 -45.29 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.637 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 127' ' ' LEU . 46.8 mt -105.34 -47.34 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.204 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.99 -7.46 10.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.483 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -159.48 155.3 26.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.55 174.42 54.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.71 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.7 128.4 14.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.091 2.527 . . . . 0.0 112.295 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 m -99.0 15.99 23.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 108' ' ' VAL . 42.0 t -141.56 136.11 30.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.828 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -64.18 -39.95 95.07 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.81 -43.04 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.391 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 6.7 tp10 -64.77 -35.21 80.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.923 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 104' ' ' SER . 95.2 t -60.86 -59.97 3.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.28 -32.07 69.69 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.151 0.5 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -59.4 -59.77 4.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.185 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -79.03 -23.98 43.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.652 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -59.33 -42.97 92.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 0.0 109.999 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.2 m -64.11 -40.82 97.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.6 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.12 -50.01 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.76 -23.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.0 t -77.24 -37.09 53.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.4 m -91.94 -42.49 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.7 -23.57 20.58 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.771 -176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.9 -160.62 20.91 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.751 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 56.2 tp -64.95 -52.74 47.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.87 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -52.07 -42.36 59.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 122.403 2.069 . . . . 0.0 112.609 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.885 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.0 -39.76 87.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.956 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 120' ' ' LEU . 67.5 t -61.3 -51.13 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.41 -42.14 91.12 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.972 0.415 . . . . 0.0 110.836 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.96 98.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.673 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 98' ' ' LEU . 94.0 mt -80.68 -48.97 11.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.712 -176.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 68' ' ' ARG . 59.4 t -68.19 -44.25 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.715 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.58 9.9 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.734 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -66.25 116.88 7.77 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 169.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.0 mm100 -67.67 -23.91 65.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.26 -52.92 59.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -68.01 -49.29 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.131 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -62.23 -43.52 98.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.747 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -82.86 -38.65 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.536 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.53 -55.44 27.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.272 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -80.27 -38.37 31.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.095 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.8 165.14 19.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.177 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -93.47 -17.51 23.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.115 0.483 . . . . 0.0 110.44 -178.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.58 -25.03 19.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.328 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.9 m -65.22 130.37 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.348 0.594 . . . . 0.0 112.41 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.569 HG21 HG13 ' A' ' 28' ' ' VAL . 92.1 t -93.42 137.7 23.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.122 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.484 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 3.3 Cg_endo . . . . . 0 C--N 1.349 0.558 0 C-N-CA 123.957 3.105 . . . . 0.0 113.719 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -144.2 130.25 19.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.412 ' SD ' HG22 ' A' ' 56' ' ' VAL . 48.1 ttm -83.06 98.74 9.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 0.0 110.321 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -135.53 143.2 44.11 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.32 117.37 4.07 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.67 2.247 . . . . 0.0 111.507 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.2 -17.29 2.94 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.503 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 88.0 mt -79.72 155.7 27.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 110.371 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.0 m -81.73 170.01 16.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.944 174.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.06 97.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.084 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.05 -32.65 74.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 11.1 mm-40 -64.61 -49.57 70.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.122 0.487 . . . . 0.0 109.823 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 29' ' ' ILE . 99.7 mttt -65.39 -35.92 82.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -58.75 -45.02 90.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.44 91.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.032 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.49 -49.74 83.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.992 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.2 mt -66.01 -40.42 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.71 -35.7 81.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.263 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.67 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.7 87.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HG22 ' A' ' 29' ' ' ILE . 54.9 m-85 -60.91 -44.95 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.207 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 34' ' ' ARG . 22.0 ttt180 -68.37 -22.0 64.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.185 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -85.89 -45.01 11.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.26 -46.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.415 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -86.19 -15.1 41.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.713 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 55.7 mt-10 . . . . . 0 N--CA 1.466 0.36 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.485 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' HB3' HG13 ' A' ' 49' ' ' ILE . 24.7 m-85 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 121.16 0.505 . . . . 0.0 112.222 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m 56.79 -169.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.625 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -105.61 -26.44 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.074 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 m -63.69 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.877 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 45' ' ' TYR . 33.2 mm -59.54 -58.01 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.727 0.299 . . . . 0.0 111.082 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -68.41 -24.78 64.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.63 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.0 t80 -70.94 -41.93 70.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.31 -39.2 74.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.748 0.309 . . . . 0.0 110.289 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HG3' HG21 ' A' ' 29' ' ' ILE . 34.7 tt0 -54.47 -47.4 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 p -69.55 -32.46 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.372 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.8 mt-30 -64.37 -47.45 79.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.959 0.409 . . . . 0.0 110.854 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG22 ' SD ' ' A' ' 16' ' ' MET . 8.5 p -74.01 -32.35 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.003 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -74.75 -27.74 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.028 176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -67.34 -25.73 66.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 174.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 11.04 61.21 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.85 -45.29 51.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.563 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 38.1 pt -112.86 176.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.936 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.8 p -117.85 -178.77 3.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.0 mmm -63.54 -18.6 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.039 0.447 . . . . 0.0 110.261 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -60.22 -59.57 5.2 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.545 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 18.2 mp0 -65.97 -40.0 90.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.095 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 27.5 t80 -56.62 -56.2 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.278 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.48 -47.07 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.64 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HG11 ' A' ' 128' ' ' VAL . 10.8 ptt180 -68.27 -32.02 71.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.564 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -73.17 -34.3 65.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 90.9 mt -66.42 -48.6 69.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -71.13 -25.06 62.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.818 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 121' ' ' PRO . 55.9 tttm -76.98 -17.99 58.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.8 m -61.53 139.1 95.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.479 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.45 -26.84 46.59 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.792 2.994 . . . . 0.0 113.297 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.23 -45.24 92.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.4 -22.98 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.981 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.553 ' HA ' HD23 ' A' ' 120' ' ' LEU . 53.5 ttt-85 -80.79 -31.54 35.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.05 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -78.37 -38.24 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.38 -177.84 6.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 39.8 t80 68.4 -64.72 0.29 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HB2' HD22 ' A' ' 120' ' ' LEU . 86.5 t80 -79.44 -44.25 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 13.7 mm-40 -69.69 -49.32 21.44 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -177.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 25.6 Cg_endo -63.4 -19.48 68.16 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.055 1.836 . . . . 0.0 112.772 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -112.45 -162.17 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.422 ' H ' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -119.86 167.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.507 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.52 -39.88 71.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.951 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 p -60.98 -52.74 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.451 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 53.7 mtt180 -70.05 -29.85 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.65 99.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 0.0 110.17 176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.86 -46.17 90.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.566 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 92.4 mt -67.3 -37.34 83.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.683 0.278 . . . . 0.0 110.753 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.93 79.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.426 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -58.4 -34.9 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.901 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 25.2 tpt180 -73.34 -31.71 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.514 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -81.9 -45.22 15.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.617 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 124' ' ' VAL . 64.9 mt -84.15 -74.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.896 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.96 -26.76 63.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.941 0.4 . . . . 0.0 111.162 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 78.46 21.26 70.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -137.34 -169.86 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.74 147.34 17.92 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.625 ' HB2' HG22 ' A' ' 108' ' ' VAL . 18.2 Cg_endo -59.65 112.21 1.19 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.389 2.06 . . . . 0.0 111.212 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -96.47 -22.04 17.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.857 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.2 t -97.91 140.95 31.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.956 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' ARG . 18.3 mmt180 -64.42 -40.36 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 110.367 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 46.1 mt-10 -59.76 -44.59 93.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.83 174.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 102' ' ' PRO . 41.9 tt0 -60.71 -44.97 95.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.415 -178.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.625 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.5 t -55.59 -57.95 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.939 0.399 . . . . 0.0 110.587 177.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.5 -26.27 66.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.774 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.0 tmtm? -63.7 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 110.33 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.05 -23.91 21.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.1 -40.75 90.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.116 0.484 . . . . 0.0 110.14 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 p -70.61 -36.14 73.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 110' ' ' LYS . 71.1 mt -60.29 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.966 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 123' ' ' LEU . 11.6 p -68.46 -27.53 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.466 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 m -81.44 -40.51 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.99 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.4 t -73.85 -46.19 46.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.696 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.59 -70.67 1.1 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.057 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 154.72 -174.51 33.01 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 59.8 tp -62.18 -50.52 79.67 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.82 0.31 . . . . 0.0 111.482 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.722 ' HB3' ' HG3' ' A' ' 72' ' ' LYS . 52.0 Cg_exo -55.95 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.929 1.753 . . . . 0.0 112.348 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.75 98.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.957 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 115' ' ' VAL . 64.2 tp -61.49 -49.43 76.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.144 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.501 HG13 HD11 ' A' ' 97' ' ' ILE . 96.7 t -58.96 -45.97 91.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.522 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.08 -54.78 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HA ' ' OD2' ' A' ' 129' ' ' ASP . . . -63.77 -34.0 76.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.035 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.81 -31.27 64.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.638 0.256 . . . . 0.0 111.189 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 68' ' ' ARG . 79.9 t -78.88 -33.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.511 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 126' ' ' ALA . 1.7 p30 -90.93 -4.28 56.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.581 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.9 p -54.75 138.82 41.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 8.2 tp-100 -75.08 -16.66 60.55 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.524 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -61.06 -60.36 3.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 0.0 109.44 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 2.5 t80 -62.84 -36.16 82.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.914 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.457 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -68.09 -26.01 65.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.486 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.86 -20.42 33.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.667 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 1.0 OUTLIER -50.47 -65.39 0.57 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.794 -172.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -151.66 -41.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -174.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 154.52 174.58 24.71 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 119.055 -1.545 . . . . 0.0 113.81 -170.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -109.32 -4.94 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -32.77 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.933 0.397 . . . . 0.0 111.625 -170.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -77.02 159.05 30.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 143' ' ' PRO . 37.6 t -72.48 141.32 82.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 142' ' ' VAL . 78.2 Cg_exo . . . . . 0 C--N 1.348 0.536 0 C-N-CA 123.158 2.572 . . . . 0.0 114.567 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -113.33 133.59 55.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.72 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG3' HD11 ' A' ' 20' ' ' LEU . 41.5 ttm -82.03 94.16 7.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.316 0.579 . . . . 0.0 109.866 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 72.8 mttt -72.03 153.94 92.59 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.295 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.6 100.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.637 2.225 . . . . 0.0 112.232 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 34.24 53.68 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.405 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -71.46 156.11 39.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 178.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.51 160.43 19.42 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.33 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.564 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.25 -47.13 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.808 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.6 mp0 -61.31 -46.56 89.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.557 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.3 ttmt -62.53 -40.12 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.404 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.27 -48.57 81.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.956 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.9 99.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.521 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.1 t -62.42 -50.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.363 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.79 -37.5 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.64 -45.3 94.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.226 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.38 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.594 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.88 82.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.192 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.531 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 43.9 m-85 -70.31 -23.44 62.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 40.7 ttp180 -83.27 -16.77 45.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.156 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.75 -44.85 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.424 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.473 HD11 HG13 ' A' ' 67' ' ' VAL . 49.8 mm -76.53 -60.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.432 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.82 4.2 31.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.072 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 38.0 mt-10 . . . . . 0 N--CA 1.466 0.334 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.642 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.057 0.456 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -161.27 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.977 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.97 -47.92 67.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -60.82 -36.37 78.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.759 0.79 . . . . 0.0 110.445 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.531 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 75.4 mt -67.44 -47.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.24 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 p -69.09 -31.66 70.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.823 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.31 -52.5 61.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.228 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.83 -38.19 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.356 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.78 -50.44 72.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.197 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 m -61.3 -38.33 86.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -69.99 -42.82 72.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.66 -31.55 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.332 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.84 -32.3 73.48 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.628 175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.48 -19.31 60.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.23 11.37 75.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.544 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.67 -45.6 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.112 0.482 . . . . 0.0 110.35 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.1 pt -119.95 140.36 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.282 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.1 p -74.92 173.02 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpt -68.26 -30.64 69.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.7 ' HE2' ' HA ' ' A' ' 129' ' ' ASP . 79.2 tttt -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.956 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 68' ' ' ARG . 28.3 tp10 -64.69 -42.71 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.06 -53.01 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.332 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.473 HG13 HD11 ' A' ' 36' ' ' ILE . 56.3 t -60.11 -42.9 91.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 27.0 ttp180 -61.24 -42.15 98.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -65.42 -36.11 82.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.045 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.58 -54.81 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.24 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.407 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -74.12 -18.79 60.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.158 -174.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 12.6 tmtt? -79.13 -22.32 45.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -71.36 154.96 93.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.703 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -54.61 -26.47 46.26 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.741 2.961 . . . . 0.0 114.051 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.15 -53.76 53.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -68.0 -32.96 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.618 0.723 . . . . 0.0 109.469 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.573 ' HA ' HD23 ' A' ' 120' ' ' LEU . 30.0 ttm180 -66.09 -42.34 89.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.664 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 82' ' ' GLU . 97.1 mttt -76.42 -11.4 59.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.722 0.296 . . . . 0.0 111.138 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.65 -44.08 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 0.0 111.046 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -115.09 48.19 1.19 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.705 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -165.73 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.456 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.606 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 33.6 mm-40 -77.85 -59.26 0.81 Allowed Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.757 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 58.9 Cg_endo -77.93 -53.79 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.42 1.413 . . . . 0.0 111.769 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.3 131.86 35.23 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.7 pt -83.07 170.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.923 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.5 p30 -52.17 -32.64 36.85 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.274 -177.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 m -52.67 -50.51 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.664 0.386 . . . . 0.0 111.624 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -91.11 -27.67 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.73 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -56.89 -42.88 80.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.753 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.69 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.28 -52.38 61.6 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.19 -37.59 83.94 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.293 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.88 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.617 0.246 . . . . 0.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HD1' HD12 ' A' ' 98' ' ' LEU . 25.7 m-85 -56.72 -39.55 74.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.101 0.476 . . . . 0.0 111.424 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -81.27 -39.09 25.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.676 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.55 -33.75 58.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 85.5 mt -95.24 -60.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.662 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.675 HD11 HD22 ' A' ' 127' ' ' LEU . 73.2 mt -78.18 -18.22 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.435 -173.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.42 21.39 76.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.808 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -117.29 -56.58 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.529 . . . . 0.0 111.133 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.1 172.68 37.23 Favored Glycine 0 N--CA 1.442 -0.94 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 16.1 Cg_exo -68.2 88.93 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.45 2.1 . . . . 0.0 111.441 176.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -75.16 -39.57 60.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.456 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.631 ' HB2' ' OE1' ' A' ' 106' ' ' GLU . 13.6 p -128.36 149.02 50.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.746 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 6.5 tpt180 -65.87 -34.22 77.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 110.992 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 4.3 pm0 -67.58 -37.88 83.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.24 -36.2 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 102' ' ' PRO . 86.8 t -56.72 -57.93 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.427 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -61.0 -38.47 86.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.869 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.61 -48.2 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.854 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.8 -23.33 17.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.86 -37.52 84.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.112 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -62.79 -34.04 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.258 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.82 -46.85 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -71.02 -18.83 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.1 t -82.25 -28.39 31.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.4 p -100.5 -49.2 4.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.21 -4.47 56.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.916 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.26 -170.95 51.41 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.642 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 31.9 tp -63.73 -46.4 82.44 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.7 Cg_endo -49.55 -45.89 29.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.452 2.102 . . . . 0.0 113.01 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.4 88.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.435 HD22 ' HB ' ' A' ' 115' ' ' VAL . 63.2 tp -62.86 -50.37 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.472 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.48 -47.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.402 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 19.6 t70 -56.45 -48.18 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.782 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 130' ' ' SER . . . -59.61 -39.85 85.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 98' ' ' LEU . 94.2 mt -72.22 -49.31 36.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.575 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 43.2 t -76.82 -41.78 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.7 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.2 t70 -81.12 -6.37 58.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -173.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' ALA . 95.5 p -62.8 142.22 58.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.452 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 17.7 mm100 -80.61 -20.35 43.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.876 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.02 -55.2 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.43 ' O ' ' HD1' ' A' ' 137' ' ' PHE . 54.6 t80 -66.73 -41.26 88.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.471 ' HA ' ' HE1' ' A' ' 137' ' ' PHE . . . -57.19 -41.14 78.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.375 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.84 -32.06 72.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.104 0.478 . . . . 0.0 110.492 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.48 -56.56 11.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.278 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.504 ' HD1' ' H ' ' A' ' 137' ' ' PHE . 0.3 OUTLIER -102.24 -26.86 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.305 -172.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.35 151.1 27.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.91 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 pm0 -74.52 -9.19 58.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.833 0.316 . . . . 0.0 111.519 -173.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.01 -13.44 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.62 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 18.9 m -93.35 148.66 21.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -170.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -87.16 130.24 48.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.857 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo . . . . . 0 C--O 1.236 0.398 0 C-N-CA 123.37 2.713 . . . . 0.0 112.871 178.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.3 m-85 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -123.47 141.81 51.63 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.805 -173.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.482 ' SD ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -89.4 43.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.967 172.104 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD21 ' A' ' 20' ' ' LEU . 24.0 pttm -88.87 156.02 49.83 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.82 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.3 151.46 83.32 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.927 2.418 . . . . 0.0 111.836 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.57 45.3 6.51 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.106 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HG2' ' A' ' 24' ' ' GLU . 84.5 mt -126.72 157.88 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.811 0.339 . . . . 0.0 110.5 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -80.96 162.85 23.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.49 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.68 -32.88 74.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG2' HD22 ' A' ' 20' ' ' LEU . 13.8 tp10 -67.59 -48.77 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.882 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HE2' ' HB2' ' A' ' 20' ' ' LEU . 71.7 mmtt -57.24 -42.63 81.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.393 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -63.27 -44.87 93.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.901 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.94 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.282 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 14' ' ' TYR . 51.7 t -61.67 -49.76 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.094 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.4 mt -65.0 -43.39 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.29 -43.92 97.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.34 99.29 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -60.55 -51.48 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -56.53 -35.81 68.52 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 63.7 ttt180 -74.65 -26.67 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.206 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -91.05 -6.48 53.8 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.772 -0.58 . . . . 0.0 111.553 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 32' ' ' ALA . 51.0 mm -90.27 -58.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.688 ' HE1' ' HB2' ' A' ' 76' ' ' TYR . 33.9 m-85 -121.31 6.14 10.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.518 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 15.6 tp10 . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 121.919 0.866 . . . . 0.0 108.715 -167.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m 66.37 124.48 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.728 0.775 . . . . 0.0 112.409 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.67 -28.86 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.365 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -60.06 -37.03 78.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.8 mm -66.9 -39.86 84.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.338 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -70.38 -33.11 71.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.87 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.623 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.9 t80 -67.86 -51.42 48.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.67 -38.25 84.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 39.2 tt0 -57.84 -42.53 84.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.995 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -79.01 -33.32 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.42 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 18.2 mm100 -59.52 -50.12 75.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.642 0.258 . . . . 0.0 110.906 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.8 p -71.28 -32.84 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -60.08 -40.68 90.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.969 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.54 -1.77 56.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.04 27.97 63.32 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.89 -39.66 42.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.266 0.555 . . . . 0.0 109.861 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -122.39 144.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.9 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -75.82 160.86 29.53 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.6 tpp -56.23 -27.36 54.63 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 110.275 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HD2' HG12 ' A' ' 128' ' ' VAL . 21.3 tptm -50.23 -59.62 3.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.874 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.03 -28.01 64.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.587 -174.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.0 t80 -64.96 -62.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.016 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.444 HG22 HD11 ' A' ' 36' ' ' ILE . 53.3 t -57.55 -42.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.255 0.55 . . . . 0.0 110.6 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 75.7 ttt180 -54.77 -56.7 16.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.376 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.672 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.8 mt -69.64 -46.05 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.221 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -10.0 59.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.509 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.83 16.08 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.984 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -77.61 147.5 75.04 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.597 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.73 -34.13 95.5 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.696 2.264 . . . . 0.0 112.204 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.9 tp -61.38 -53.55 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 177.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.688 ' HB2' ' HE1' ' A' ' 37' ' ' PHE . 87.7 t80 -67.52 -33.73 75.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.693 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HA ' HD23 ' A' ' 120' ' ' LEU . 59.9 ttp180 -60.55 -39.98 89.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -72.3 -35.32 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.9 mm-40 -69.96 133.36 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.489 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 83' ' ' PRO . 72.0 m-85 72.74 -41.84 0.52 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.539 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HB2' HD22 ' A' ' 120' ' ' LEU . 76.2 t80 -65.35 -27.71 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.638 -177.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 5.9 mm-40 -83.12 -53.14 0.6 Allowed Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 35.5 Cg_exo -63.03 -31.79 76.22 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.09 1.86 . . . . 0.0 112.83 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -120.4 130.36 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 pt -73.62 176.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.263 . . . . 0.0 110.995 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.04 -35.93 62.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -61.91 -38.16 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.957 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.09 -35.32 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.61 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.1 -58.79 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.385 175.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.19 -38.01 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.54 -45.12 94.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.188 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.86 92.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.512 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 14.1 m-85 -58.34 -40.24 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.363 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -83.64 -27.85 28.83 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.804 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -77.59 -27.85 51.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.815 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.493 HD12 HD12 ' A' ' 127' ' ' LEU . 72.8 mt -102.86 -69.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.686 0.279 . . . . 0.0 111.248 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 127' ' ' LEU . 62.2 mt -69.34 -41.05 77.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.53 17.71 11.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -145.43 -84.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.744 0.772 . . . . 0.0 111.721 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 155.85 172.32 23.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.073 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.58 155.59 40.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.789 2.326 . . . . 0.0 112.086 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.8 p -90.14 -62.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -133.58 174.7 10.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -171.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 105' ' ' ARG . 49.2 mtt180 -54.79 -47.73 73.6 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.514 0.509 . . . . 0.0 112.365 -171.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -58.91 -46.06 88.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.3 -37.85 84.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.945 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' SER . 97.0 t -62.7 -58.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.265 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 112' ' ' PHE . 2.5 mp0 -61.92 -28.66 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -57.63 -57.14 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.757 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -79.58 -23.48 42.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 109' ' ' GLN . 89.1 t80 -61.6 -34.59 75.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.157 0.503 . . . . 0.0 109.867 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 m -65.45 -34.24 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.375 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.29 -46.14 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.64 -21.18 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.4 t -82.22 -47.65 12.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.6 t -69.67 -55.8 8.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.449 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -93.19 -41.18 4.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.599 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.86 -172.58 15.17 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.826 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.9 tp -59.17 -51.09 84.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.814 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 37.2 Cg_exo -58.91 -33.0 98.45 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.731 1.621 . . . . 0.0 112.503 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.21 79.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.939 0.399 . . . . 0.0 110.324 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.9 tp -66.78 -38.21 86.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.818 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.66 -51.7 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.438 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.35 -42.31 81.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.705 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.33 77.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.493 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -87.66 -36.41 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 64' ' ' LYS . 58.2 t -80.46 -27.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.897 0.379 . . . . 0.0 111.238 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -98.51 13.87 30.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.429 0.633 . . . . 0.0 110.371 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -71.32 137.5 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -70.52 -49.71 45.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.728 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.34 -39.76 91.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.37 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -70.15 -39.36 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.24 95.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.068 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.08 -29.73 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.951 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -83.01 -55.78 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.91 -42.42 9.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.45 171.17 26.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.518 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.52 -37.94 10.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.515 0.197 . . . . 0.0 111.482 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.638 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 52.3 mt-10 -70.82 -33.78 71.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.315 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 90.9 m -88.8 122.24 32.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 143' ' ' PRO . 25.6 t -63.72 128.4 92.73 Favored Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 142' ' ' VAL . 39.6 Cg_exo . . . . . 0 CA--C 1.522 -0.124 0 C-N-CA 123.533 2.822 . . . . 0.0 112.889 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.319 0.58 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 141' ' ' THR . . . -147.71 141.88 26.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.899 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.552 ' SD ' HG22 ' A' ' 56' ' ' VAL . 46.5 ttm -103.32 106.36 16.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.245 0.545 . . . . 0.0 109.747 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -126.96 156.9 73.43 Favored Pre-proline 0 C--N 1.316 -0.869 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.591 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.36 108.61 0.53 Allowed 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.262 1.974 . . . . 0.0 111.523 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.46 38.01 0.43 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.131 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -117.45 168.62 10.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.965 0.412 . . . . 0.0 110.704 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.601 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 20.3 m -103.08 -177.09 3.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.438 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 -55.23 23.24 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -35.24 79.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 2.1 mp0 -58.87 -50.25 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.872 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' ILE . 82.1 mttt -61.99 -46.79 87.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.721 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -61.52 -40.16 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.213 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.09 95.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 96.3 t -65.21 -40.49 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.777 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 33' ' ' TYR . 67.7 mt -64.54 -45.72 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.36 -46.15 89.45 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.131 0.491 . . . . 0.0 110.567 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.94 89.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.29 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.63 74.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HG22 ' A' ' 29' ' ' ILE . 28.7 m-85 -55.11 -60.43 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.268 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.97 -22.6 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.88 -173.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -80.31 -43.85 20.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.242 -0.287 . . . . 0.0 111.204 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.41 -48.12 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.662 ' HA ' ' HE1' ' A' ' 76' ' ' TYR . 82.6 m-85 -84.49 -5.24 59.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.576 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HG3' ' HZ ' ' A' ' 80' ' ' PHE . 28.7 mm-40 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.039 0.447 . . . . 0.0 111.457 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.375 0.607 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.406 ' HB3' HG12 ' A' ' 49' ' ' ILE . 39.3 t -140.17 150.14 43.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.5 -30.4 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.0 110.815 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 24.5 m -63.85 -28.82 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.986 177.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 46' ' ' SER . 49.6 mm -73.15 -46.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -61.57 -34.45 75.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 71.2 t80 -59.45 -55.18 37.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.8 mt -58.37 -43.53 88.47 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.98 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 29' ' ' ILE . 26.6 tt0 -53.58 -51.09 64.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.344 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 -39.01 83.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 25.5 mm-40 -63.64 -55.51 23.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.2 p -66.97 -33.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.857 0.36 . . . . 0.0 110.604 -176.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.02 -47.81 83.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -82.47 -6.74 59.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.94 31.31 23.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.91 -41.22 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.28 0.562 . . . . 0.0 109.75 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.8 pt -122.32 161.34 23.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.08 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -81.2 160.51 24.3 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.266 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.8 tpt -65.23 -37.5 87.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 139' ' ' GLU . 13.0 tmtt? -59.13 -37.89 78.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.426 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.55 -34.32 65.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.1 t80 -60.88 -47.39 86.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.77 -48.47 88.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.992 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HB2' HG11 ' A' ' 128' ' ' VAL . 1.5 ttm-85 -59.88 -42.84 94.64 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -70.97 -41.07 71.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.769 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD13 ' HE1' ' A' ' 37' ' ' PHE . 71.5 mt -60.62 -49.16 78.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 111.323 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.27 63.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.47 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.27 -9.6 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.107 0.48 . . . . 0.0 110.412 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.3 m -70.56 144.95 92.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.26 -30.28 71.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.149 2.566 . . . . 0.0 112.17 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.2 tp -55.2 -53.46 55.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HE1' ' HA ' ' A' ' 37' ' ' PHE . 32.0 t80 -71.09 -34.57 71.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 0.0 110.635 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.79 ' HG2' HD23 ' A' ' 120' ' ' LEU . 43.9 mtp180 -69.64 -25.97 64.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.181 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 9.8 mmmm -77.15 -11.61 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.83 -61.0 1.52 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.699 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.495 ' HZ ' ' HG3' ' A' ' 38' ' ' GLU . 12.2 m-85 -95.8 62.73 2.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.641 -175.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.5 ' HB2' HD22 ' A' ' 120' ' ' LEU . 73.0 t80 -178.49 -64.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 19.5 tt0 -67.45 -48.65 44.68 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -172.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 6.7 Cg_exo -76.23 10.19 2.2 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.258 1.972 . . . . 0.0 112.595 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -130.17 176.17 8.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 88' ' ' ARG . 32.4 pt -89.65 149.97 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.54 -39.61 77.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.27 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 t -58.63 -39.57 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 25.5 ttt180 -87.1 -32.07 20.11 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.797 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.16 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.117 0.484 . . . . 0.0 109.914 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.583 HD12 HD21 ' A' ' 123' ' ' LEU . 30.6 tp -56.92 -48.43 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.961 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 33.2 tt0 -64.17 -40.68 96.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.559 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.8 mt -61.39 -37.78 84.66 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.124 0.488 . . . . 0.0 110.871 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.03 83.75 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.427 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.585 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 34.9 m-85 -57.54 -39.92 77.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.533 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 90.2 mtt180 -58.89 -50.07 75.38 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -84.28 -36.43 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.7 mt -83.78 -49.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.0 -8.16 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.52 43.87 98.36 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.292 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 27.7 ttt-85 -159.29 114.91 2.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.461 -0.199 . . . . 0.0 110.461 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.61 143.64 30.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.551 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 108' ' ' VAL . 56.4 Cg_endo -72.11 99.36 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -82.48 -33.61 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.3 m -84.88 131.12 34.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -63.59 -36.3 83.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.687 0.28 . . . . 0.0 110.649 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.53 -35.35 79.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.313 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.29 -44.36 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.615 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 102' ' ' PRO . 71.7 t -58.81 -53.69 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.13 -30.69 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.17 -58.28 9.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 95.7 m-85 -74.15 -23.94 59.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' HG12 ' A' ' 115' ' ' VAL . 90.2 t80 -61.15 -36.48 79.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.5 . . . . 0.0 109.833 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -68.0 -29.89 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.474 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.83 -46.72 34.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 112' ' ' PHE . 11.0 p -70.93 -22.54 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.569 -176.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 p -85.16 -53.9 4.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.312 . . . . 0.0 111.267 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -75.82 -46.84 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.555 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.24 -47.94 4.76 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.76 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.57 173.97 14.34 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.79 HD23 ' HG2' ' A' ' 77' ' ' ARG . 46.4 tp -63.09 -46.31 86.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.486 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -52.95 -37.82 78.68 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.096 1.864 . . . . 0.0 112.229 176.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.84 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.575 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.583 HD21 HD12 ' A' ' 90' ' ' LEU . 41.9 tp -58.92 -54.21 49.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.41 -42.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.894 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.55 -41.91 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.566 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.63 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.187 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 91.8 mt -69.1 -52.01 32.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 68' ' ' ARG . 46.6 t -69.63 -36.31 70.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.808 0.337 . . . . 0.0 111.567 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.17 31.2 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.313 0.577 . . . . 0.0 110.906 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 133' ' ' TYR . 24.3 p -76.2 139.52 41.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.02 -45.72 86.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.893 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.71 -45.87 81.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.64 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.425 ' HB3' ' OG ' ' A' ' 130' ' ' SER . 70.5 t80 -64.79 -46.07 83.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.045 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.0 -49.08 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.693 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.23 -30.71 54.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -72.2 -48.97 39.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.165 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -88.56 -40.81 13.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.863 -169.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.04 -168.51 23.46 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.65 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 pt-20 -117.72 -1.19 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 141' ' ' THR . 6.0 pt-20 -93.03 -45.22 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 140' ' ' GLU . 4.1 m -79.19 155.56 28.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -168.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.2 t -95.2 122.55 59.52 Favored Pre-proline 0 CA--C 1.53 0.211 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo . . . . . 0 C--O 1.236 0.404 0 C-N-CA 122.66 2.24 . . . . 0.0 113.569 -175.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.207 0.527 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.48 125.13 26.78 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.344 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.5 ttm -80.38 94.79 6.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.399 0.618 . . . . 0.0 110.705 -175.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 62.6 mttm -95.9 145.91 30.38 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.15 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.14 112.07 1.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.614 2.209 . . . . 0.0 110.926 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.88 7.71 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.309 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.84 146.95 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.586 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 4.2 m -63.57 150.72 43.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.119 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.59 72.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.503 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.68 -35.75 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 49.7 mt-10 -71.92 -41.23 68.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.007 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 93.7 mttt -58.15 -44.39 87.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.401 175.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -59.46 -42.0 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.5 85.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.175 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.2 t -57.68 -45.35 86.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.589 HD13 ' HG3' ' A' ' 53' ' ' GLU . 74.3 mt -65.69 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 33' ' ' TYR . 38.4 ttpt -68.68 -33.81 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 0.0 110.592 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.28 84.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.446 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.28 82.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 29.0 m-85 -54.74 -53.43 55.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 48.9 mtm180 -70.25 -22.41 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.591 -173.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -89.18 -42.61 11.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.65 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 mm -75.68 -48.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.632 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -82.67 -29.15 30.17 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.753 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.1 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.992 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.948 0.404 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 17.9 t -162.87 -151.01 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 47' ' ' GLN . 7.6 tt0 71.36 -74.03 0.09 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.698 0.624 . . . . 0.0 110.087 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -68.17 -40.7 82.21 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 61.4 mt -67.52 -44.29 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.943 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 p -66.9 -32.04 73.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -62.08 -45.2 94.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.953 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.97 -45.55 81.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.589 ' HG3' HD13 ' A' ' 29' ' ' ILE . 38.2 tt0 -58.21 -42.2 85.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -55.32 -49.69 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.606 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.1 p -78.08 -37.5 22.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.09 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 57' ' ' ARG . 18.3 ttm180 -66.09 -30.23 70.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 110.552 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -74.17 -18.85 60.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.36 21.08 55.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.775 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.77 -36.02 18.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.683 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 pt -116.09 157.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.814 0.34 . . . . 0.0 110.449 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 13.0 m -72.41 146.45 46.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -33.86 76.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.452 0.644 . . . . 0.0 109.424 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 128' ' ' VAL . 18.5 tptm -53.06 -42.04 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.763 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 7.5 tp10 -68.38 -42.5 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.566 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.09 -42.05 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 143' ' ' PRO . 61.3 t -63.36 -44.37 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.262 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB2' HG11 ' A' ' 128' ' ' VAL . 39.5 ttp180 -59.14 -38.09 78.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.744 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HD3' ' HE2' ' A' ' 72' ' ' LYS . 12.1 mmt180 -64.46 -45.78 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.24 -41.02 97.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.006 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.455 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -69.8 -29.69 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.349 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.599 ' HE2' ' HD3' ' A' ' 69' ' ' ARG . 65.9 pttt -96.23 10.96 36.17 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.08 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 m -74.51 144.09 80.25 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.431 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 87.7 Cg_exo -48.63 -41.03 38.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.522 2.815 . . . . 0.0 113.457 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.25 -36.72 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 111.011 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -73.11 -24.26 60.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 120' ' ' LEU . 78.3 mtp180 -82.83 -29.65 29.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.871 175.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 74.4 mmtt -71.79 -32.64 67.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.479 . . . . 0.0 109.912 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -96.35 -175.97 3.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.9 t80 68.11 -70.12 0.13 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.56 -16.77 53.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.455 . . . . 0.0 111.116 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.601 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -75.13 -51.38 3.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.666 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 3.1 Cg_exo -78.44 -23.19 8.83 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 0.0 112.513 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.84 114.19 22.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.1 pt -66.72 172.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.02 -43.86 19.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.016 0.526 . . . . 0.0 111.553 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -59.63 -31.25 69.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.351 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -103.97 -29.72 10.75 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.886 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.12 78.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 111' ' ' TYR . 39.2 tp -61.05 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.67 -48.95 77.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.373 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 80' ' ' PHE . 1.5 tt -64.45 -44.39 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB2' ' HZ ' ' A' ' 80' ' ' PHE . . . -63.59 -46.8 84.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.352 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.58 -49.28 76.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 110.264 -178.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 95' ' ' ARG . 10.5 ttm180 -68.76 -29.44 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.04 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 36' ' ' ILE . 5.7 t-80 -76.97 -30.59 56.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.495 -175.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 127' ' ' LEU . 70.9 mt -93.4 -51.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.436 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 127' ' ' LEU . 77.7 mt -94.92 -25.61 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.45 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.67 -4.71 79.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.407 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 43.9 ttt85 -114.43 140.33 48.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.26 155.26 21.35 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.491 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.11 129.61 33.94 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.673 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 t -123.21 -38.43 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 1.2 m -87.95 136.54 32.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -67.06 -35.58 80.16 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.542 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -78.21 -31.69 49.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.664 ' HB3' ' HB2' ' A' ' 104' ' ' SER . 27.5 tt0 -59.9 -47.44 85.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.029 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 104' ' ' SER . 92.3 t -57.67 -54.63 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.669 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -57.16 -36.54 70.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.702 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 114' ' ' ILE . 61.6 tttm -59.51 -59.88 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.433 . . . . 0.0 110.597 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 90' ' ' LEU . 92.7 m-85 -72.99 -28.12 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.562 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.58 -38.95 93.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.034 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -70.25 -31.85 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.083 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 110' ' ' LYS . 77.2 mt -66.39 -47.58 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.529 ' HB ' HD22 ' A' ' 123' ' ' LEU . 15.0 p -72.05 -29.06 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.437 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.7 m -83.18 -45.3 14.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.628 0.252 . . . . 0.0 111.428 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 t -80.85 -46.06 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 -177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.6 -60.06 1.94 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.83 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.35 174.27 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.289 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.585 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 61.1 tp -60.1 -49.99 88.34 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.561 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -56.74 -31.59 88.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 121.945 1.763 . . . . 0.0 112.172 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.99 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.529 HD22 ' HB ' ' A' ' 115' ' ' VAL . 54.7 tp -61.34 -48.24 82.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -58.26 -45.67 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.301 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.93 -42.59 99.28 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.775 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.6 75.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.521 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 97' ' ' ILE . 99.1 mt -84.09 -31.67 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.829 0.347 . . . . 0.0 111.864 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.4 t -85.44 -42.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.89 -30.22 61.24 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 p -58.49 127.39 31.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.162 0.506 . . . . 0.0 111.37 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 50.6 tp60 -63.35 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.357 -174.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.38 -52.58 64.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.685 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 137' ' ' PHE . 21.6 m-85 -77.74 -22.29 50.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -69.34 -51.61 35.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.13 0.49 . . . . 0.0 110.745 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.78 -51.59 57.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.381 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -75.94 -25.68 56.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -172.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 57.6 m-85 -90.71 -40.95 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.113 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.94 131.04 7.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.707 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 20.5 mm-40 -79.1 -19.11 52.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.791 0.329 . . . . 0.0 111.252 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -84.86 -13.55 50.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 0.0 110.072 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.1 m -84.65 144.05 28.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.141 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.9 t -88.19 127.53 56.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.586 172.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.601 ' HD2' HG21 ' A' ' 67' ' ' VAL . 60.6 Cg_endo . . . . . 0 CA--C 1.532 0.41 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HB3' HG13 ' A' ' 28' ' ' VAL . 96.6 m-85 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.4 151.4 38.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.533 ' SD ' HG22 ' A' ' 56' ' ' VAL . 51.7 ttm -113.15 112.8 24.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.103 0.478 . . . . 0.0 110.835 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -135.87 154.62 77.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.372 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.59 127.23 25.31 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.48 2.12 . . . . 0.0 111.712 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.95 25.62 5.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.402 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -117.66 147.39 42.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.646 0.26 . . . . 0.0 110.389 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.7 m -73.85 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.78 -38.7 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.2 tp10 -61.89 -53.3 57.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.8 mttt -61.3 -42.23 98.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.281 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -54.84 -42.84 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.55 83.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' GLU . 89.5 t -61.51 -43.18 96.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.925 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.563 HG21 ' HG3' ' A' ' 53' ' ' GLU . 77.2 mt -63.56 -45.81 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.965 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.9 -34.47 78.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.153 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.29 86.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.0 -55.65 32.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.711 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -58.31 -32.12 68.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.72 -29.47 62.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -105.46 -30.12 9.77 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.89 -177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 143' ' ' PRO . 36.2 mm -67.62 -40.67 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.591 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.42 -10.57 19.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.368 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -150.64 -35.4 0.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.623 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.91 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.826 -175.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -61.13 -30.26 70.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.257 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.1 -57.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -67.41 -22.24 65.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 44.6 t80 -62.68 -54.95 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.478 HD22 ' HD3' ' A' ' 69' ' ' ARG . 88.2 mt -65.49 -38.01 88.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.576 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.563 ' HG3' HG21 ' A' ' 29' ' ' ILE . 36.0 tt0 -59.87 -44.7 94.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.841 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -66.21 -31.67 72.64 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.108 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 22.3 mt-30 -63.83 -53.19 54.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.531 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG22 ' SD ' ' A' ' 16' ' ' MET . 10.8 p -69.0 -36.64 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.78 -41.23 97.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.13 -33.75 76.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.525 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.12 14.47 20.57 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.666 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.17 -40.47 90.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.276 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 65' ' ' GLU . 30.3 pt -135.28 154.67 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -95.22 -175.47 3.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.0 mmt -68.83 -33.46 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 78.8 tttt -54.36 -53.12 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 0.0 109.794 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 16.8 tp10 -67.08 -39.96 86.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.782 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.71 -48.67 79.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.28 -44.29 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.992 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 128' ' ' VAL . 23.7 ttp85 -60.05 -44.49 94.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.277 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.478 ' HD3' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.36 -39.91 92.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.205 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.1 -49.75 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.401 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -76.34 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 9.9 ttpp -90.8 4.99 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.505 . . . . 0.0 110.467 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -77.42 142.6 67.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.239 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.91 -31.82 75.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.324 2.683 . . . . 0.0 112.418 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.3 -41.12 98.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.591 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -74.0 -24.3 59.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.154 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.1 ttt180 -80.34 -29.99 38.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.029 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -85.13 -37.74 19.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.617 ' HA ' ' HD1' ' A' ' 84' ' ' PHE . 54.3 m-85 67.8 -61.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.782 0.676 . . . . 0.0 111.95 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.82 -33.67 73.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.936 0.494 . . . . 0.0 112.218 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -96.02 -49.03 0.25 Allowed Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 33.9 Cg_exo -62.54 -33.81 77.27 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.1 1.867 . . . . 0.0 112.694 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 80' ' ' PHE . 89.0 m-85 -106.18 166.06 10.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.417 HG23 ' H ' ' A' ' 88' ' ' ARG . 13.5 tt -74.73 148.4 7.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.41 HD22 ' C ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -51.9 -37.87 54.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.839 -178.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 m -63.54 -31.16 72.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.898 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' H ' HG23 ' A' ' 85' ' ' ILE . 16.1 tpt180 -85.92 -34.34 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.93 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.487 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 123' ' ' LEU . 44.2 tp -59.33 -51.41 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.61 -43.05 93.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.464 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.5 -38.39 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.923 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.38 81.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.528 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' A' ' 98' ' ' LEU . 52.1 m-85 -57.84 -46.71 84.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.097 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -65.02 -28.32 69.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -83.77 -35.36 24.41 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.945 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 127' ' ' LEU . 71.8 mt -94.25 -50.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.622 -175.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD12 ' HD1' ' A' ' 94' ' ' PHE . 82.6 mt -89.87 -12.71 38.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 110.548 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.78 0.66 89.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.669 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -154.36 150.63 28.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.79 -178.32 40.62 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.939 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -61.15 150.77 82.88 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.074 2.516 . . . . 0.0 112.552 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -95.0 -38.26 10.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.213 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.9 t -130.3 155.5 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.06 -21.35 59.05 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.773 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -61.99 -43.01 99.75 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.04 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.275 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 104' ' ' SER . 82.6 t -58.27 -59.2 3.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.19 -36.72 78.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.403 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.43 -51.79 68.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -83.51 -19.69 35.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.535 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -67.49 -34.55 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.2 t -64.53 -42.94 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.38 -45.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 123' ' ' LEU . 10.9 p -71.95 -24.25 22.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.185 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.3 m -84.54 -27.31 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.334 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.4 t -97.28 -63.68 1.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.12 -33.98 38.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.3 179.57 20.13 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.287 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 37.4 tp -62.23 -48.29 88.0 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.496 -0.288 . . . . 0.0 111.694 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.9 Cg_exo -55.51 -33.28 85.83 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.984 1.789 . . . . 0.0 112.5 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.49 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 90' ' ' LEU . 59.1 tp -61.18 -48.22 82.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.082 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 71' ' ' ALA . 84.5 t -57.38 -44.2 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.452 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.06 -49.79 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.794 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.41 -33.27 73.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.733 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 97' ' ' ILE . 93.3 mt -81.96 -42.76 18.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.565 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.8 t -74.67 -35.96 39.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.074 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 29.8 t70 -87.29 14.89 7.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.77 0.795 . . . . 0.0 110.337 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -72.89 106.56 4.86 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 17.1 mm100 -68.27 -11.99 60.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.274 -177.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.42 -51.51 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.544 0.688 . . . . 0.0 109.226 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -66.79 -41.39 87.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.964 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.515 ' O ' ' HA2' ' A' ' 138' ' ' GLY . . . -67.5 -24.1 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.774 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.68 -48.32 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.004 0.43 . . . . 0.0 111.077 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -65.69 -49.93 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.486 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -98.36 -41.55 7.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 134' ' ' ALA . . . 107.87 146.43 12.51 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.081 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.738 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 9.8 pt-20 -77.07 -5.07 47.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.128 0.49 . . . . 0.0 110.717 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -84.06 -15.57 46.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.67 176.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.5 m -90.47 140.62 29.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.337 -169.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.36 121.84 68.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.43 172.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.606 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.2 Cg_endo . . . . . 0 C--O 1.233 0.241 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.56 ' HB3' HG13 ' A' ' 28' ' ' VAL . 97.2 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.77 144.07 30.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 13.2 mmt -100.39 105.14 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -135.3 147.29 61.52 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.812 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.65 107.61 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.435 2.09 . . . . 0.0 111.03 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 55.48 0.13 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.79 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.25 156.95 45.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.518 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 5.8 m -81.92 162.21 22.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.357 177.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.31 83.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.73 -36.33 83.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.518 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 45.5 mt-10 -66.13 -48.14 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.14 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 29' ' ' ILE . 94.7 mttt -62.43 -42.37 99.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.753 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.48 -41.5 76.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.8 81.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 14' ' ' TYR . 64.7 t -67.3 -48.23 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 25' ' ' LYS . 59.6 mt -57.97 -48.69 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.346 -176.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 93.3 mttt -68.85 -32.74 72.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.218 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.38 -50.83 72.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.935 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.446 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 49.5 m-85 -53.54 -43.1 68.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 76.5 mtt180 -60.99 -47.37 86.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.026 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -89.54 -25.32 21.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.4 mm -69.42 -44.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.75 -6.36 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.467 0.378 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.412 -178.355 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 121.001 0.429 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 81.4 p -167.81 -146.68 0.07 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.757 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 67.51 -83.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.506 0.722 . . . . 0.0 110.598 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -67.98 -33.28 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.64 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 56.6 mt -68.05 -47.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.462 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 9.1 p -70.82 -21.78 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.0 t80 -63.01 -49.8 73.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -37.77 85.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.092 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -56.73 -45.34 81.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.009 175.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.2 m -73.26 -25.93 60.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 16.4 mm100 -64.83 -47.13 79.11 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.733 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.89 -30.92 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.601 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.3 ttp180 -68.1 -33.99 75.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.114 0.483 . . . . 0.0 110.269 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.46 -30.83 70.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.06 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.3 13.17 56.4 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.3 -37.25 66.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 110.125 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 pt -114.73 156.62 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.396 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.5 p -87.32 166.45 14.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 1.9 tpt -62.09 -36.33 81.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.255 0.55 . . . . 0.0 109.855 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 32.2 tptt -64.02 -49.09 73.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.871 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.03 -35.39 80.42 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 64.3 t80 -59.66 -45.88 90.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.365 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 63' ' ' MET . 88.1 t -59.43 -44.22 92.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 176.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 128' ' ' VAL . 9.4 ttp180 -61.06 -46.84 89.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.955 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -62.63 -30.57 71.45 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.8 mt -71.44 -53.0 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.3 -12.6 60.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.863 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.611 ' HG3' ' HA ' ' A' ' 121' ' ' PRO . 80.3 tttt -93.52 1.59 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.451 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 63.4 m -97.94 157.39 34.66 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 111.778 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 11.5 Cg_endo -55.38 -26.25 52.14 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.809 3.006 . . . . 0.0 113.981 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.26 -42.99 96.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.659 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 65.1 t80 -72.92 -29.76 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.423 0.63 . . . . 0.0 109.566 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -67.9 -50.29 57.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.84 -54.18 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.417 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -86.56 10.35 15.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 73.8 m-85 -132.47 -65.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.32 -28.84 62.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.6 tt0 -66.65 -53.74 26.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.247 -177.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 62.6 Cg_endo -77.1 -39.89 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.678 1.586 . . . . 0.0 112.587 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 88' ' ' ARG . 66.4 m-85 -101.31 113.8 27.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.27 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.0 pt -67.9 -177.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -172.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -41.83 -54.14 3.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.759 -1.11 . . . . 0.0 113.643 -170.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -63.14 -31.78 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -173.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.536 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 72.3 mtt-85 -80.69 -36.15 32.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.7 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.716 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.22 -48.37 81.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.51 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -54.16 46.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.403 HD13 ' HD1' ' A' ' 80' ' ' PHE . 96.0 mt -63.18 -39.32 94.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.597 -176.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.99 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.97 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.405 ' HZ ' ' CD2' ' A' ' 111' ' ' TYR . 8.2 m-85 -58.37 -37.55 75.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.539 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -79.52 -15.98 56.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.876 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.3 -44.51 7.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.75 0.309 . . . . 0.0 110.98 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 124' ' ' VAL . 92.7 mt -73.8 -40.98 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.15 0.5 . . . . 0.0 111.48 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 133' ' ' TYR . 71.7 mt -116.67 -23.98 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.413 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.1 27.88 73.42 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -171.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -112.77 -76.66 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.858 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 -178.08 16.45 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.546 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.91 106.06 1.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.36 2.04 . . . . 0.0 111.895 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -57.37 -69.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.991 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 m -139.76 179.05 6.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.427 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 105' ' ' ARG . 17.2 ptt180 -57.48 -45.55 84.73 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -172.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 105' ' ' ARG . 41.0 mt-10 -68.67 -34.73 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.054 -176.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 6.0 mp0 -63.24 -44.56 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' SER . 97.6 t -57.23 -56.23 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.419 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.954 -176.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.06 -57.56 12.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.71 0.29 . . . . 0.0 111.127 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 83.4 m-85 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.434 -175.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HA ' HG12 ' A' ' 115' ' ' VAL . 92.5 t80 -62.2 -38.98 91.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 110.04 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.0 m -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -45.71 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.737 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.507 ' O ' ' HA2' ' A' ' 119' ' ' GLY . 8.4 p -72.92 -18.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.985 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -84.99 -43.25 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.721 0.296 . . . . 0.0 110.243 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -72.55 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.66 -44.1 4.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.959 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . 114.23 -165.22 12.04 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.983 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.45 -49.03 96.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.611 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 82.6 Cg_exo -48.67 -40.16 38.18 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 122.125 1.883 . . . . 0.0 112.681 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.66 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.772 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.407 HD22 ' HB ' ' A' ' 115' ' ' VAL . 60.6 tp -59.34 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.121 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.423 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 93.2 t -62.15 -43.13 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.931 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.61 -35.24 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 68' ' ' ARG . 64.6 t -83.95 -40.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.784 -0.367 . . . . 0.0 111.911 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.44 -17.83 60.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 t -67.39 127.39 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -56.74 -36.51 69.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.695 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.9 mp0 -59.58 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.603 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 35.3 m-85 -74.77 -23.02 58.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.876 -177.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.843 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -75.36 -44.64 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.99 -58.99 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.872 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.35 -34.33 76.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.779 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.603 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 93.4 m-85 -96.22 3.21 53.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 135.92 0.88 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.151 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.605 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 9.3 pt-20 -104.72 -15.9 15.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 174.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.11 -43.99 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 8.0 m -88.1 147.85 24.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.173 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.453 HG22 ' SD ' ' A' ' 63' ' ' MET . 15.3 t -73.55 128.48 87.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--N 1.346 0.409 0 C-N-CA 122.897 2.398 . . . . 0.0 112.776 -177.812 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG22 ' A' ' 28' ' ' VAL . 91.2 m-85 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.984 0.421 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . . . -147.26 142.81 27.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.104 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mmt -82.41 98.65 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 111.205 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' A' ' 15' ' ' ALA . 89.4 mttt -122.71 137.04 27.33 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.41 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.4 Cg_exo -71.45 113.29 3.57 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.837 2.358 . . . . 0.0 110.926 171.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.7 -0.81 5.9 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.08 156.24 18.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.681 0.277 . . . . 0.0 110.413 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -67.84 157.35 35.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.185 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.19 95.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.895 0.378 . . . . 0.0 110.978 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.44 -31.1 71.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.2 tp10 -67.55 -48.81 65.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.64 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.33 -44.49 84.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.292 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.09 -41.64 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.77 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.808 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 24' ' ' GLU . 58.1 t -56.34 -44.29 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.599 HG21 ' HG2' ' A' ' 53' ' ' GLU . 63.5 mt -63.87 -51.25 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.589 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.5 -31.51 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.81 0.338 . . . . 0.0 110.641 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.98 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.63 -47.67 82.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' HE2' ' A' ' 37' ' ' PHE . 44.8 m-85 -61.05 -44.65 97.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -53.77 -45.05 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.527 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -87.82 -44.01 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.369 -0.378 . . . . 0.0 112.007 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 67' ' ' VAL . 20.6 mt -70.38 -43.24 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.599 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' HE2' ' HD1' ' A' ' 33' ' ' TYR . 92.6 m-85 -84.27 -9.06 58.81 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.031 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 N--CA 1.466 0.333 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.928 175.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.592 0.234 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 m 68.64 146.49 0.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.417 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -81.74 -25.24 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.008 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 t -65.09 -39.2 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.255 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -67.56 -41.02 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 p -74.08 -26.14 60.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.674 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.12 -40.17 96.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.281 0.562 . . . . 0.0 109.658 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' SER . 69.1 mt -63.8 -38.39 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.799 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -63.19 -49.69 73.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.55 177.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -51.32 -42.63 61.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.65 -46.31 83.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.979 -178.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.21 -29.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.657 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -47.7 80.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.044 0.45 . . . . 0.0 109.983 175.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.1 -29.39 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.141 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.7 27.99 11.94 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.021 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.79 -35.71 38.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 pt -116.6 149.26 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.626 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -76.98 165.15 25.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 142' ' ' VAL . 2.5 ttm -71.32 -28.12 63.87 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.178 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HE2' ' NH2' ' A' ' 68' ' ' ARG . 1.4 tmtp? -63.53 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.11 -45.75 76.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 110.127 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.03 -48.17 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.12 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 HD11 ' A' ' 36' ' ' ILE . 78.0 t -59.73 -47.37 91.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.123 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 125' ' ' ASP . 11.7 ttm-85 -61.59 -39.42 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.281 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HD2' HD22 ' A' ' 52' ' ' LEU . 19.2 ttm180 -72.2 -36.3 69.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.802 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.48 -40.69 63.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.048 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 124' ' ' VAL . . . -76.21 -17.53 59.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.524 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' A' ' 125' ' ' ASP . 44.6 mtpt -103.04 17.58 23.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.636 0.255 . . . . 0.0 110.846 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -74.39 151.84 87.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.353 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.58 -33.91 80.65 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.85 2.367 . . . . 0.0 112.095 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.8 tp -67.53 -49.85 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.962 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.73 -37.08 86.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.379 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HA ' HD23 ' A' ' 120' ' ' LEU . 75.9 ttt180 -67.71 -29.97 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.925 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -77.85 -17.49 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.229 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 15.3 mm100 -95.94 143.08 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.688 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.466 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 70.3 m-85 68.39 -60.44 0.42 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.658 0.783 . . . . 0.0 112.88 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' A' ' 120' ' ' LEU . 82.5 t80 -62.94 -33.02 74.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.708 0.29 . . . . 0.0 111.749 -174.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.4 tm-20 -78.3 -57.68 0.88 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.392 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 46.9 Cg_endo -69.81 -39.44 6.41 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.852 1.701 . . . . 0.0 113.65 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.466 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 99.1 m-85 -97.41 165.13 12.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.765 0.317 . . . . 0.0 110.695 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -77.27 149.13 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.302 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -52.85 -36.6 59.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.886 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -64.47 -22.28 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.728 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.64 -36.74 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.8 86.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.385 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 48.0 tp -56.74 -50.93 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.87 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.82 -46.49 89.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.54 -40.32 96.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.64 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.36 69.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.026 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.477 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 30.5 m-85 -56.24 -45.39 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.52 -37.28 77.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.752 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -76.75 -30.79 56.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -96.08 -48.78 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.678 0.275 . . . . 0.0 111.598 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.45 -25.99 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.444 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.43 5.04 59.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.913 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -138.42 -70.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.321 0.582 . . . . 0.0 110.615 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 141.94 -149.55 21.26 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -174.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HB3' HG22 ' A' ' 108' ' ' VAL . 15.9 Cg_exo -69.52 132.03 22.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.752 2.302 . . . . 0.0 112.152 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -81.3 -39.76 24.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.483 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 108' ' ' VAL . 64.6 p -146.41 163.95 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.559 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -72.81 -21.86 60.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.791 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -75.65 -36.9 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.96 -39.56 90.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 104' ' ' SER . 94.5 t -55.51 -52.23 49.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.288 174.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.63 -35.32 80.63 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.67 -177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -61.76 -47.85 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.479 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.1 m-85 -81.58 -19.56 41.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.378 . . . . 0.0 110.056 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -71.31 -29.52 65.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.916 0.389 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.9 mt -68.53 -50.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.99 -23.59 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.3 t -84.83 -18.63 34.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.603 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.8 t -85.59 -50.21 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.96 -37.17 2.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.542 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.33 -165.58 13.73 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 36.9 tp -60.34 -49.42 90.52 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.477 -0.297 . . . . 0.0 111.647 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 71.5 Cg_exo -51.61 -39.08 66.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.086 1.857 . . . . 0.0 112.77 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.7 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.51 -52.04 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 71' ' ' ALA . 75.2 t -58.91 -46.89 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.053 -178.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.694 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 23.1 t70 -58.83 -47.33 85.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.614 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.22 75.84 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 111.368 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.01 -54.78 15.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 53.6 t -66.41 -35.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.0 111.022 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.71 -37.57 76.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.036 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.1 p -46.33 124.01 5.33 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 112.514 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.5 mm100 -72.51 -19.39 61.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.68 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.83 -52.42 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 143' ' ' PRO . 29.2 t80 -67.4 -38.49 84.76 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.833 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -64.83 -32.67 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.748 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -80.57 -30.78 36.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -75.26 -47.25 28.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.263 -176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.18 -40.25 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 111.517 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.97 174.55 19.66 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.116 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 12.6 pt-20 -90.71 -9.78 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.337 0.589 . . . . 0.0 110.104 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 7.2 pt-20 -99.98 -32.52 10.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.933 -171.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.9 m -81.02 145.52 31.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.551 -172.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.555 HG22 ' SD ' ' A' ' 63' ' ' MET . 45.5 t -71.35 116.62 49.07 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 171.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 41.0 Cg_exo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.976 2.451 . . . . 0.0 111.946 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.24 155.95 41.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.761 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mmt -83.04 109.84 17.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 0.0 109.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 39.9 mtmt -101.01 149.69 36.44 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 -173.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 22.5 Cg_exo -65.38 108.86 1.26 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.471 2.114 . . . . 0.0 111.65 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.35 43.93 23.67 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.588 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -95.89 151.62 19.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 110.66 179.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.9 t -74.87 159.61 31.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.073 0.463 . . . . 0.0 111.6 -170.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.57 77.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.278 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.39 -47.18 85.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.188 0.518 . . . . 0.0 110.359 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 20' ' ' LEU . 29.2 mt-10 -60.48 -44.66 95.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.668 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HE2' HD11 ' A' ' 20' ' ' LEU . 35.6 ttmt -63.62 -47.37 81.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.299 -1.318 . . . . 0.0 111.698 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.65 -45.19 81.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 0.0 110.756 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.79 -43.31 94.49 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.138 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 24' ' ' GLU . 90.9 t -67.13 -43.41 88.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 25' ' ' LYS . 76.8 mt -60.01 -48.8 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.09 -37.51 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.719 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.53 87.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.563 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.08 82.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.635 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -64.51 -36.16 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.78 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.738 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.6 mtp85 -75.35 -9.19 58.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -104.41 -44.38 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.072 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.13 -53.44 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.076 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.49 -5.89 28.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.599 . . . . 0.0 109.856 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.738 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 40.2 mt-10 . . . . . 0 C--O 1.234 0.284 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.96 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB3' HG12 ' A' ' 49' ' ' ILE . 46.6 t -127.57 147.31 50.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.698 0.285 . . . . 0.0 110.236 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.51 -29.05 68.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 0.0 110.589 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 43.8 m -57.33 -37.33 72.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.331 175.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 46' ' ' SER . 50.6 mm -68.53 -41.47 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.135 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.0 m -60.83 -35.54 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 48.8 t80 -69.89 -41.48 74.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.112 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' SER . 97.2 mt -61.82 -43.26 99.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.92 -46.88 78.34 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.306 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -61.22 -39.39 90.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.224 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 47.3 mt-30 -65.85 -46.55 78.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 0.0 111.438 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.52 -24.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.063 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 67.8 ttt180 -69.14 -33.49 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.928 177.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -91.7 0.4 57.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.873 0.368 . . . . 0.0 110.678 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 23.69 77.73 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.284 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.97 -34.16 57.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 0.0 109.81 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.7 pt -123.93 145.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.101 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.8 p -74.33 170.36 15.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.7 mmt -66.62 -32.78 74.33 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.633 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.25 -44.62 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 11.3 mm-40 -66.16 -46.82 76.07 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.947 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 38.8 t80 -54.03 -47.51 71.49 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.556 0.535 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.05 -41.81 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 68' ' ' ARG . 2.9 ttm180 -61.09 -38.58 86.78 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 110.385 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 8.0 mmt85 -72.84 -38.72 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 88.5 mt -64.45 -42.07 96.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . . . -69.01 -28.19 66.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 14.7 tmtt? -77.25 -22.17 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.114 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.3 m -64.17 137.47 97.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.795 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.83 -34.99 68.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.343 2.695 . . . . 0.0 113.434 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 54.3 tp -58.03 -58.46 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.752 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 67.9 t80 -64.32 -41.38 96.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -54.29 -50.29 67.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.931 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 82' ' ' GLU . 73.5 tttt -71.44 -32.5 68.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.811 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 28.4 mm-40 -54.24 -35.79 62.86 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 78.1 m-85 -115.64 13.17 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.601 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -109.84 -37.9 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.599 ' HG2' ' HG3' ' A' ' 78' ' ' LYS . 79.2 mm-40 -73.34 -55.47 3.64 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 11.8 Cg_endo -90.73 -4.76 4.62 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.346 2.031 . . . . 0.0 113.133 -174.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 95.6 m-85 -120.24 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.203 0.525 . . . . 0.0 111.155 -175.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.93 162.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.684 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -45.99 -49.76 15.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.201 0.6 . . . . 0.0 111.739 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -55.82 -44.81 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.108 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -82.02 -33.86 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.923 -175.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.51 86.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.076 0.465 . . . . 0.0 109.838 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 123' ' ' LEU . 38.3 tp -60.87 -46.35 90.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.392 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -59.7 -47.27 86.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.89 -29.94 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.236 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.68 -51.07 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.94 -27.85 69.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -48.29 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.451 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.43 -21.56 20.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.387 -168.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.5 mt -95.78 -62.7 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.144 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 127' ' ' LEU . 5.0 mp -84.77 -34.86 22.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.98 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.1 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.693 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -139.67 -74.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 110.565 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.13 173.51 13.41 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.739 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.0 Cg_exo -72.75 124.6 9.85 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.863 2.376 . . . . 0.0 111.772 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.0 p -73.54 -67.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.29 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 108' ' ' VAL . 24.1 t -145.74 173.83 11.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.934 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -53.81 -32.51 52.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.579 0.549 . . . . 0.0 112.353 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.5 -57.6 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 111.077 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 110' ' ' LYS . 4.2 tp10 -65.59 -35.42 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.907 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 104' ' ' SER . 88.2 t -60.89 -57.14 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.164 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.77 -36.6 81.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.707 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' OE1' ' A' ' 107' ' ' GLU . 68.4 tttt -53.72 -51.48 63.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.434 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -83.32 -23.7 32.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -62.03 -36.45 81.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.023 0.439 . . . . 0.0 110.208 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.93 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.509 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -70.49 -25.72 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.708 -177.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 p -84.48 -46.1 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.781 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -84.42 -56.52 3.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.7 -36.72 52.98 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.243 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.16 170.57 17.0 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.56 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.3 tp -58.88 -50.04 90.15 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.726 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -57.01 -38.83 95.03 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.848 1.699 . . . . 0.0 112.287 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.95 99.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.581 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.509 HD22 ' HB ' ' A' ' 115' ' ' VAL . 39.8 tp -61.49 -53.9 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.366 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 71' ' ' ALA . 86.6 t -57.84 -43.43 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.105 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.99 -44.84 83.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.289 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.8 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.283 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 98' ' ' LEU . 94.3 mt -78.97 -43.91 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.98 -44.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.707 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.29 8.66 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.2 t -53.5 121.98 8.82 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.127 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -60.41 -37.2 80.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.525 ' O ' ' HD2' ' A' ' 136' ' ' TYR . 2.0 mp0 -57.3 -56.35 22.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.823 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 98' ' ' LEU . 84.0 t80 -56.62 -46.25 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.026 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.17 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.958 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.21 -46.66 12.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 111.151 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.525 ' HD2' ' O ' ' A' ' 132' ' ' GLU . 77.5 m-85 -70.8 -45.65 64.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.697 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -91.97 -36.34 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 111.379 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.14 130.55 5.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.478 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.68 -14.92 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.794 0.331 . . . . 0.0 111.432 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.02 -22.77 36.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.824 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.7 m -88.73 143.51 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.95 133.42 65.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo . . . . . 0 C--N 1.35 0.615 0 C-N-CA 123.373 2.715 . . . . 0.0 112.158 178.41 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.0 m-85 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.85 135.98 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.7 tpp -83.19 45.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.022 0.915 . . . . 0.0 108.725 173.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.699 ' HG3' ' HB3' ' A' ' 20' ' ' LEU . 17.0 pttm -52.01 138.52 35.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.515 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 52.0 Cg_exo -52.65 113.97 1.48 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.088 2.525 . . . . 0.0 112.862 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.73 48.75 6.46 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.739 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -104.45 155.79 18.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.958 0.409 . . . . 0.0 111.578 -177.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -68.59 162.99 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.752 -168.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 -50.53 67.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.813 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.89 -40.94 81.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.1 mm-40 -58.08 -51.89 67.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.491 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 33.8 ttmt -61.75 -43.2 99.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.316 -174.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -58.74 -39.94 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.46 -38.17 74.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 24' ' ' GLU . 84.0 t -62.51 -48.68 87.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.525 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 53' ' ' GLU . 75.6 mt -63.92 -36.77 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.75 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -62.47 -45.74 91.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.65 86.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.92 -55.08 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.275 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -65.88 -29.8 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 33.5 ttt180 -79.85 -12.21 59.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 6.1 tp-100 -106.74 -45.31 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.61 0.243 . . . . 0.0 111.573 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.33 -57.14 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' ' 70' ' ' LEU . 76.4 m-85 -99.45 0.96 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.072 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 52.6 mt-10 . . . . . 0 CA--C 1.531 0.243 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.573 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 120.707 0.289 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -50.9 135.61 24.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.054 0.454 . . . . 0.0 111.897 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' HG3' ' H ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.55 -15.8 61.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.183 -177.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -63.1 -32.07 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.58 -42.19 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.123 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.103 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.07 -42.62 85.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.262 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.5 mt -65.61 -42.71 91.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.802 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG21 ' A' ' 29' ' ' ILE . 32.7 tt0 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.6 t -59.32 -41.62 89.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.78 -40.97 68.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.015 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.41 -29.33 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.222 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -67.6 -33.5 75.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.113 0.482 . . . . 0.0 110.346 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -87.87 3.54 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.07 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.83 22.54 68.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.487 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.11 -38.99 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.294 0.569 . . . . 0.0 109.72 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -114.69 137.62 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.638 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -73.24 164.94 25.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.112 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.0 tpp -61.37 -42.73 99.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.316 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 128' ' ' VAL . 83.3 tttt -54.68 -39.3 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 175.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.82 -41.11 60.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.584 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 53.0 t80 -59.75 -50.07 75.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.12 -43.18 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.695 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -56.44 -53.12 61.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.344 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -58.05 -45.45 87.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 74.4 mt -58.68 -52.91 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 111.43 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -75.39 -15.12 60.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.593 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -91.1 -10.53 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.11 0.481 . . . . 0.0 109.865 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -71.74 149.79 93.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.181 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -52.77 -25.6 27.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.329 2.686 . . . . 0.0 113.114 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.83 86.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -81.31 -23.34 37.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.293 0.568 . . . . 0.0 110.058 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.532 ' HA ' HD23 ' A' ' 120' ' ' LEU . 74.3 mtp180 -70.48 -23.05 62.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.178 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -93.82 -64.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.67 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 19.8 mt-30 -78.75 143.85 35.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.033 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 76.5 m-85 73.35 4.87 4.94 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.923 0.764 . . . . 0.0 111.757 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.48 -66.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.45 -49.88 90.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.22 9.34 1.8 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.732 1.621 . . . . 0.0 113.012 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.53 160.25 32.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.24 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.12 154.72 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.61 -37.76 42.07 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -69.86 -25.56 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.346 . . . . 0.0 111.541 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -81.57 -45.39 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.484 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -29.7 71.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.762 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 123' ' ' LEU . 23.0 tp -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.806 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.08 -38.81 86.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.885 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.11 -44.61 94.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.62 68.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.798 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 16.3 m-85 -58.06 -40.85 82.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.545 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -68.49 -27.76 66.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -86.03 -22.6 27.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 HG13 ' A' ' 124' ' ' VAL . 72.1 mt -101.72 -59.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.679 -176.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.2 mt -93.92 -26.18 16.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.109 0.48 . . . . 0.0 110.715 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.28 10.77 61.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.84 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 2.0 tpm_? -155.85 130.68 9.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 94' ' ' PHE . . . -84.67 169.02 44.41 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.489 ' HB2' HG22 ' A' ' 108' ' ' VAL . 36.9 Cg_endo -64.66 145.36 86.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.841 2.361 . . . . 0.0 111.82 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -121.71 -30.77 4.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.801 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.1 m -94.13 149.05 21.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.678 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.93 -45.14 82.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.268 -0.173 . . . . 0.0 111.196 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.81 -40.76 85.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.835 0.826 . . . . 0.0 109.586 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.92 -51.07 66.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.75 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 104' ' ' SER . 75.3 t -58.32 -49.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.35 -41.29 84.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.559 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 114' ' ' ILE . 66.0 tttm -58.6 -51.7 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -75.36 -31.3 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.89 -37.12 85.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 0.0 110.317 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.2 m -71.62 -27.99 63.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.779 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 110' ' ' LYS . 85.2 mt -70.96 -51.25 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.542 HG23 ' HA ' ' A' ' 120' ' ' LEU . 14.9 p -66.77 -31.64 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.707 -176.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.2 p -78.94 -35.69 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.84 0.352 . . . . 0.0 111.579 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 m -86.44 -44.77 11.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.685 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.22 -15.4 32.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.05 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.5 168.41 30.05 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 39.5 tp -59.18 -49.78 91.16 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 14.7 Cg_endo -57.33 -23.72 56.23 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.401 2.068 . . . . 0.0 113.037 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.66 -43.68 25.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 90' ' ' LEU . 30.7 tp -58.61 -50.48 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.391 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 97' ' ' ILE . 77.8 t -61.75 -43.74 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.88 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 121' ' ' PRO . 1.9 t70 -60.41 -44.16 96.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.535 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.38 97.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.141 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.34 -49.85 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.542 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.586 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 59.3 t -68.8 -34.49 64.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 111.257 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.13 -31.96 71.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.0 p -50.11 131.82 23.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.331 0.586 . . . . 0.0 112.356 -171.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.98 -32.26 73.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.049 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.43 -51.67 61.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.337 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.539 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 55.5 t80 -64.98 -52.74 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.97 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.94 99.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.79 -41.73 18.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -77.39 -33.11 55.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.753 0.311 . . . . 0.0 111.28 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.539 ' HD1' ' HA ' ' A' ' 133' ' ' TYR . 91.6 m-85 -102.95 -41.33 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.247 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 120.39 135.91 5.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.079 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -7.89 47.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.218 0.533 . . . . 0.0 111.147 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.55 -14.14 15.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.026 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.5 m -90.09 142.64 27.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.2 130.28 91.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.463 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.8 Cg_exo . . . . . 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.313 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG13 ' A' ' 28' ' ' VAL . 78.4 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -133.56 138.4 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.587 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 tpp -82.33 86.63 6.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 20' ' ' LEU . 53.4 pttt -117.07 136.1 23.24 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 44.9 Cg_exo -57.62 120.12 7.82 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.708 2.272 . . . . 0.0 111.483 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.81 -21.67 4.17 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 17' ' ' LYS . 83.5 mt -79.59 148.55 31.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.627 0.251 . . . . 0.0 110.407 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -84.51 171.18 12.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -22.47 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.62 -50.42 37.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.7 mp0 -61.9 -45.08 95.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.299 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.45 -38.38 77.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -58.62 -44.37 89.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.11 77.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.355 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 14' ' ' TYR . 87.2 t -62.0 -52.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 110.74 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG21 ' HG3' ' A' ' 53' ' ' GLU . 38.8 mt -67.48 -35.77 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.482 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.29 -44.6 88.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.961 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.92 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.729 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 29' ' ' ILE . 46.8 m-85 -59.57 -40.37 87.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.015 177.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -67.88 -52.04 41.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.038 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.17 -32.73 74.03 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HA ' ' NE2' ' A' ' 96' ' ' HIS . 58.2 mt -91.38 -43.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 70' ' ' LEU . 79.8 m-85 -107.77 -31.87 7.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.93 -172.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 t 56.8 -84.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.894 0.878 . . . . 0.0 113.315 170.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.29 -34.0 77.12 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 -171.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -66.59 -26.37 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.511 . . . . 0.0 110.333 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.4 mt -73.79 -54.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.383 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.5 -31.33 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.5 t80 -58.44 -56.68 19.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.083 176.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.76 -37.06 85.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG3' HG21 ' A' ' 29' ' ' ILE . 35.3 tt0 -57.56 -46.79 83.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -67.74 -38.36 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 17.7 mm100 -62.43 -41.2 98.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.323 . . . . 0.0 111.214 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.37 -25.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -68.63 -43.48 76.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.209 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.01 -37.45 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.456 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.05 17.42 7.31 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.817 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -36.76 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -128.95 149.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.192 174.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 t -89.84 -179.85 5.82 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 38.3 tpp -64.24 -28.25 69.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 109.738 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.768 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 80.1 tttt -57.43 -46.36 83.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.459 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 4.3 mp0 -74.84 -39.14 61.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.4 t80 -60.17 -56.93 15.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD11 ' A' ' 36' ' ' ILE . 89.0 t -61.96 -43.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 21.4 ttp180 -61.45 -43.6 98.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.344 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -71.44 -33.51 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.2 mt -69.76 -40.16 76.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 110.619 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -73.73 -21.28 60.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 62.7 pttt -108.57 20.43 18.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 0.0 110.476 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -73.51 157.73 87.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -25.41 70.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 111.974 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.9 tp -72.2 -46.43 56.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 120' ' ' LEU . 10.7 t80 -70.31 -20.01 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.397 0.618 . . . . 0.0 109.787 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.6 ttt180 -80.8 -41.67 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.225 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 62.7 mmtt -76.13 -41.51 49.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -90.04 174.32 7.71 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 169.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.645 ' HE1' ' HB3' ' A' ' 92' ' ' LEU . 77.0 t80 65.89 -70.71 0.09 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.41 -29.42 64.89 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.787 0.435 . . . . 0.0 111.625 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.61 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 9.9 tp10 -88.27 -53.96 0.35 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 24.1 Cg_exo -64.09 -33.71 60.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.054 1.836 . . . . 0.0 112.824 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -105.34 157.69 17.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.085 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.6 tt -77.06 149.39 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.246 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -52.18 -38.7 58.55 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.1 p -59.97 -49.88 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 110.848 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -67.68 -35.96 79.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.132 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.815 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.483 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 25.0 tp -57.13 -44.22 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.306 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' HG2' ' HG3' ' A' ' 102' ' ' PRO . 35.7 mt-10 -59.13 -49.07 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.645 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 5.4 tt -64.53 -40.28 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.05 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 13.7 m-85 -57.9 -38.2 75.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.479 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -83.21 -18.04 40.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.566 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.562 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 3.2 t-160 -85.59 -30.15 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.918 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 127' ' ' LEU . 74.2 mt -102.24 -47.88 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.91 0.386 . . . . 0.0 111.227 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 127' ' ' LEU . 52.3 mt -100.18 -17.29 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 -175.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.89 18.32 68.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.804 -175.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 100' ' ' ARG . 5.1 tpp180 -97.8 -79.51 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 0.0 111.45 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 94' ' ' PHE . . . 105.16 143.69 12.14 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -172.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HG3' ' HG2' ' A' ' 91' ' ' GLU . 14.0 Cg_endo -55.76 116.83 3.44 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.979 2.453 . . . . 0.0 112.574 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -115.07 -21.58 9.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.003 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 m -128.07 147.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.698 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -69.49 -35.95 76.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.681 0.276 . . . . 0.0 110.302 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.2 -44.49 97.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.3 -49.49 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.552 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' SER . 61.8 t -57.41 -56.49 14.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.817 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.58 -37.69 79.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.844 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -57.44 -57.62 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 110.911 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -78.43 -25.54 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.73 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -62.37 -39.66 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.04 0.448 . . . . 0.0 109.893 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -66.64 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.381 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.12 -48.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -73.52 -20.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.5 t -79.46 -23.86 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.858 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 p -99.74 -63.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.782 0.325 . . . . 0.0 111.596 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -87.68 -6.77 76.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.613 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.45 -167.12 42.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.613 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 54.1 tp -58.66 -49.8 91.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 10.2 Cg_endo -51.63 -41.64 60.26 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.433 2.088 . . . . 0.0 112.908 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.83 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.7 0.286 . . . . 0.0 110.81 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.77 -50.87 69.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.609 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 71' ' ' ALA . 80.8 t -57.73 -48.01 84.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.769 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.6 -47.08 86.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.01 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 111.611 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -74.46 -45.02 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.576 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 42.5 t -83.15 -37.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.583 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 34.3 t70 -77.71 -22.49 50.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.5 p -58.7 149.01 27.27 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.155 0.502 . . . . 0.0 111.716 -175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -71.63 -38.99 70.71 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.495 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.95 -58.08 9.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.331 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 30.5 m-85 -74.01 -23.11 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.868 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.99 -53.95 49.23 Favored 'General case' 0 CA--C 1.522 -0.104 0 O-C-N 123.49 0.494 . . . . 0.0 111.152 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -82.85 -22.41 34.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.821 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 87.2 t80 -64.93 -52.72 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 98' ' ' LEU . 83.3 m-85 -87.08 -40.93 14.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.995 0.426 . . . . 0.0 110.678 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.97 102.67 2.57 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.3 pt-20 -69.45 -4.47 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.037 0.446 . . . . 0.0 111.874 -176.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -89.4 -26.77 20.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 11.4 m -97.57 157.4 16.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.618 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.85 121.86 86.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo . . . . . 0 C--N 1.345 0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.258 -178.743 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.027 0.441 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.8 133.01 37.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.84 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 56' ' ' VAL . 43.6 ttm -102.43 114.77 29.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.916 0.389 . . . . 0.0 110.34 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 7.7 ptmm? -134.08 148.96 70.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.018 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 38.7 Cg_exo -58.25 117.32 4.02 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.916 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.24 -19.04 5.46 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.031 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.518 ' HG ' ' HG2' ' A' ' 17' ' ' LYS . 86.6 mt -76.96 155.64 32.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 39.6 t -73.73 157.99 35.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.898 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.21 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.889 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.3 mm-40 -64.45 -45.36 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.974 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 29' ' ' ILE . 98.6 mttt -62.18 -47.06 86.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.513 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.62 -33.79 74.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.166 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.78 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.342 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 24' ' ' GLU . 83.8 t -65.12 -42.56 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.504 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 61.1 mt -62.73 -42.07 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.499 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -61.57 -42.27 98.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.383 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 35' ' ' GLN . . . -62.7 -39.82 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.731 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.38 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -61.84 -50.73 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.282 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.8 mtp85 -63.37 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.075 -178.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 11.0 mm100 -80.56 -38.16 30.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.532 HD11 HG22 ' A' ' 67' ' ' VAL . 51.9 mt -89.18 -45.6 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.45 -21.88 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.465 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.5 mt-10 . . . . . 0 N--CA 1.466 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HB2' HD11 ' A' ' 49' ' ' ILE . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 t -67.14 179.41 1.19 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.431 -172.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' SER . 8.3 tt0 70.54 -60.41 0.5 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.196 -170.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -62.21 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 45' ' ' TYR . 68.5 mt -61.38 -53.97 41.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 p -66.28 -29.78 70.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.794 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 41.8 t80 -60.65 -57.16 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.25 -37.1 86.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.458 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 24.2 tt0 -55.14 -57.54 11.34 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.478 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 57' ' ' ARG . 19.5 p -61.43 -30.06 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 25.8 mt-30 -61.18 -54.22 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG22 ' SD ' ' A' ' 16' ' ' MET . 11.6 p -75.42 -32.91 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.196 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 67.0 ttt180 -61.64 -28.65 69.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.626 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -101.23 4.78 42.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 111.204 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.0 30.41 65.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.405 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.73 -27.91 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 47.3 pt -132.33 145.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.438 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -72.24 167.11 21.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.45 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.563 ' SD ' HG22 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -53.76 -39.96 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 79.9 tttt -47.79 -51.8 21.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.299 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.709 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.3 mm-40 -69.15 -33.66 73.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.25 -45.67 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 36' ' ' ILE . 69.7 t -62.34 -47.17 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.624 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 84.1 mtp180 -55.87 -50.94 69.24 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -76.28 -23.21 54.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.913 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.9 mt -71.77 -47.59 52.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.5 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -82.0 -4.29 56.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.051 0.453 . . . . 0.0 111.159 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -106.69 4.31 27.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.271 0.558 . . . . 0.0 109.894 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.4 p -75.73 161.73 74.92 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 55.5 Cg_exo -53.8 -30.55 57.68 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.773 2.316 . . . . 0.0 112.377 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.73 -48.88 77.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -75.4 -23.48 57.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.184 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.254 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 14.3 mmmm -89.56 -64.76 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 79.3 mt-30 -71.37 162.62 29.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 81.3 m-85 69.03 -56.18 0.54 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.682 0.613 . . . . 0.0 111.828 -175.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -71.72 -41.19 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.6 tt0 -83.28 -52.67 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 31.6 Cg_endo -65.11 -10.35 25.31 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.102 1.868 . . . . 0.0 113.336 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.97 -174.62 3.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 tp -104.55 155.64 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.852 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -50.72 -45.23 58.45 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.869 0.468 . . . . 0.0 111.456 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -62.54 -29.59 70.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.643 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -81.19 -42.82 20.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.022 -178.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -65.93 -28.64 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.631 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.92 -53.68 55.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.65 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.43 -29.21 68.63 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 89' ' ' ALA . 87.4 mt -63.26 -45.6 90.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.44 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.914 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.21 -59.84 3.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.438 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 54.3 mtm180 -65.35 -41.72 93.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.105 -173.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -80.59 -30.86 36.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.932 -171.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.74 -43.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.351 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.77 -16.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.225 -176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.22 15.5 81.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.129 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' ARG . 41.7 ttp180 -146.88 156.38 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.408 ' HA2' ' HG2' ' A' ' 95' ' ' ARG . . . -82.45 159.87 39.22 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.954 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.06 128.62 24.6 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.659 2.239 . . . . 0.0 111.648 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 p -102.11 -42.31 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.625 -172.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 47.9 m -108.92 136.88 47.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.392 . . . . 0.0 111.224 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.51 -41.17 93.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.936 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -71.94 -22.64 61.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.438 ' O ' ' HD1' ' A' ' 111' ' ' TYR . 5.8 tp10 -67.52 -46.37 73.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.13 -48.73 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.433 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.521 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 114' ' ' ILE . 2.5 ttmp? -62.4 -58.77 6.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.287 0.565 . . . . 0.0 110.028 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.542 ' HA ' HD12 ' A' ' 114' ' ' ILE . 82.4 m-85 -68.49 -22.14 64.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.206 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.89 -42.25 90.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.174 0.511 . . . . 0.0 109.757 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -67.17 -36.99 82.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.1 mt -62.25 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.113 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 120' ' ' LEU . 8.5 p -67.92 -21.9 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.791 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -80.06 -46.36 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.329 . . . . 0.0 111.231 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.9 p -85.96 -49.1 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.853 0.358 . . . . 0.0 111.813 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -35.36 22.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.951 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.96 178.93 19.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.197 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 55.4 tp -60.15 -51.78 77.94 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 19.4 Cg_endo -60.47 -27.74 85.41 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.016 1.811 . . . . 0.0 112.526 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.33 -42.78 71.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.703 0.287 . . . . 0.0 110.459 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 tp -56.14 -54.64 42.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.571 177.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 71' ' ' ALA . 97.2 t -60.27 -45.01 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.46 -47.04 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.66 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.92 74.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.622 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.92 -45.99 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.449 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 t -84.21 -22.82 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.137 0.494 . . . . 0.0 111.259 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.78 -21.52 62.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -52.27 122.1 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.274 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.62 -40.7 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.912 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -65.0 -47.56 77.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.393 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.86 80.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.361 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.16 -26.31 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.4 ' HD2' ' HD1' ' A' ' 137' ' ' PHE . 87.4 t80 -57.76 -52.14 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.152 -175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.678 ' HD2' ' HB ' ' A' ' 141' ' ' THR . 31.6 p90 -130.96 5.56 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.584 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.67 152.54 27.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.786 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 10.7 pt-20 -90.44 5.2 48.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.872 0.367 . . . . 0.0 110.598 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.51 -7.07 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.783 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . 0.678 ' HB ' ' HD2' ' A' ' 137' ' ' PHE . 28.8 m -96.67 146.0 25.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.419 0.152 . . . . 0.0 110.911 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.563 HG22 ' SD ' ' A' ' 63' ' ' MET . 61.5 t -73.81 123.8 89.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.499 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--O 1.232 0.224 0 C-N-CA 122.611 2.207 . . . . 0.0 111.726 176.281 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 28' ' ' VAL . 39.0 m-85 . . . . . 0 N--CA 1.45 -0.427 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -143.56 141.11 30.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.312 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.02 115.33 8.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -114.17 151.99 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.414 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.55 68.66 3.58 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.912 2.408 . . . . 0.0 112.402 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.53 36.47 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.749 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -89.08 136.73 32.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.603 -0.351 . . . . 0.0 110.215 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -73.14 163.04 28.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.94 76.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.97 -35.94 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.056 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -69.19 -43.95 73.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 179.011 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 38.5 ttmt -62.78 -39.98 95.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.224 177.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.45 -40.1 93.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.227 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.8 83.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.448 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 24' ' ' GLU . 61.7 t -67.71 -45.14 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG21 ' HG3' ' A' ' 53' ' ' GLU . 54.4 mt -69.93 -39.77 77.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.778 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -59.17 -41.91 89.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.39 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.12 86.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.773 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.34 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -54.62 -43.2 72.03 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 42.3 ttm180 -65.54 -39.71 92.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.402 -173.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -88.75 -13.93 38.35 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.644 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.56 HD11 HG22 ' A' ' 67' ' ' VAL . 66.3 mt -92.53 -58.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.724 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -125.1 26.81 6.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.48 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.7 pt-20 . . . . . 0 N--CA 1.479 0.983 0 C-N-CA 123.779 0.832 . . . . 0.0 111.845 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.232 0.184 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -56.15 122.43 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.088 0.47 . . . . 0.0 111.844 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.15 -21.9 65.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.066 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 31.0 t -55.33 -28.87 56.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.332 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.69 -42.3 92.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 110.344 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 5.6 t -76.14 -24.15 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.812 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.23 -36.34 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.1 mt -61.13 -38.36 86.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.077 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HG3' HG21 ' A' ' 29' ' ' ILE . 10.7 tt0 -56.0 -45.6 78.99 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.397 174.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 m -62.87 -38.57 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -67.48 -45.0 77.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.144 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.11 -22.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 0.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.691 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 28.8 mtp180 -68.59 -42.39 78.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.693 173.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.31 -34.72 76.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.126 0.488 . . . . 0.0 110.795 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.14 35.64 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.78 -54.22 17.18 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 42.0 pt -104.6 139.97 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.007 172.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 139' ' ' GLU . 63.1 m -91.71 -177.95 4.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' HG22 ' A' ' 142' ' ' VAL . 19.6 mmt -65.65 -21.17 66.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.302 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 15.3 tptt -59.17 -47.27 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.051 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 2.3 mp0 -71.38 -47.31 56.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.9 -54.58 44.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 36' ' ' ILE . 70.6 t -60.38 -47.83 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 111.099 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 21.2 ttp180 -61.92 -39.3 91.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.745 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.4 -34.56 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.188 -0.32 . . . . 0.0 111.52 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.51 -36.81 76.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.425 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 9.7 mtmp? -91.91 8.4 37.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.271 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.2 m -74.66 144.28 80.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.74 -36.58 62.49 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.33 2.687 . . . . 0.0 113.116 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.63 -52.15 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -65.24 -42.3 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.278 0.561 . . . . 0.0 109.941 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.7 ttt180 -61.0 -47.57 85.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.206 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 85.2 tttt -72.74 -19.93 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.717 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -96.37 -49.1 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.12 -17.98 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 120' ' ' LEU . 92.7 t80 -117.58 -54.5 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.074 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . 6.3 tp10 -49.74 -53.8 38.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 88.1 Cg_endo -91.96 14.83 1.72 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.027 1.818 . . . . 0.0 113.117 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.18 161.22 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.509 HG13 ' HG3' ' A' ' 88' ' ' ARG . 13.9 pt -74.4 144.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.886 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -62.56 -23.52 67.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 p -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.741 0.305 . . . . 0.0 111.486 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.509 ' HG3' HG13 ' A' ' 85' ' ' ILE . 73.7 mtp180 -89.25 -42.37 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.446 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -62.15 -30.24 70.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 37.6 tp -55.95 -51.01 69.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -69.77 -33.26 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.513 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 89' ' ' ALA . 97.4 mt -60.1 -41.46 92.61 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.0 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.624 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 m-85 -59.07 -39.95 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -66.15 -35.81 81.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.724 0.297 . . . . 0.0 111.368 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 1.7 t-160 -87.08 -24.14 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.501 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 124' ' ' VAL . 80.5 mt -100.33 -46.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.594 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.31 -18.97 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -174.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.02 78.36 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.614 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 6.3 mtm180 -149.78 178.06 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.424 0.29 . . . . 0.0 110.268 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.83 159.24 14.5 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.999 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.5 ' HB2' HG22 ' A' ' 108' ' ' VAL . 2.2 Cg_endo -79.34 98.22 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.844 2.363 . . . . 0.0 111.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -83.42 -22.74 32.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 m -85.9 121.75 28.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.22 -33.67 72.58 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -58.87 -46.47 87.73 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.051 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.19 -36.15 83.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.92 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 102' ' ' PRO . 69.2 t -61.42 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.302 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.71 -36.9 75.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.156 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 83.6 m-85 -79.7 -20.92 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.31 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.05 -41.93 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.4 m -67.95 -39.77 83.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.296 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.04 -42.38 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.06 -21.31 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.746 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -80.0 -48.54 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.572 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -84.09 -45.44 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -66.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.97 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.65 -170.46 23.06 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.14 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 54.4 tp -66.53 -51.54 40.87 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.694 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.2 Cg_exo -55.11 -41.08 82.2 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.809 1.673 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.78 98.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 64.8 tp -61.12 -49.42 77.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.591 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -57.96 -49.73 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.95 -41.48 87.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.897 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.877 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.71 -43.24 99.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 111.392 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.413 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 31.7 t -76.81 -21.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -80.71 -39.36 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.855 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 65.4 p -56.42 132.67 51.82 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.59 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 14.1 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 16.0 mm-40 -56.25 -54.48 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -82.32 -22.95 35.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 110.635 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.741 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.66 -54.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.254 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.9 -43.74 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.625 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.579 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -58.86 -54.74 43.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -175.011 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.72 -22.62 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.949 0.404 . . . . 0.0 110.725 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.5 173.38 49.79 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.805 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 62' ' ' SER . 15.1 pt-20 -102.07 -25.11 13.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.855 0.36 . . . . 0.0 110.574 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -82.09 -32.51 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.8 m -82.67 137.05 34.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.994 -171.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 63' ' ' MET . 6.5 t -80.68 131.42 60.89 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 171.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo . . . . . 0 C--N 1.344 0.332 0 C-N-CA 122.737 2.291 . . . . 0.0 112.851 -179.001 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 121.483 0.658 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -112.81 134.63 54.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.01 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.569 ' HG2' HG22 ' A' ' 56' ' ' VAL . 51.6 tpp -73.76 98.4 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.152 0.501 . . . . 0.0 109.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -135.7 143.38 44.52 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.326 -178.074 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 37.2 Cg_exo -58.6 116.83 3.53 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.559 2.173 . . . . 0.0 110.888 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.82 -19.59 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.82 145.01 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -75.64 170.69 15.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.84 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.675 0.274 . . . . 0.0 111.096 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.54 -23.48 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.0 111.282 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.71 -45.38 52.58 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' ILE . 95.6 mttt -62.85 -36.98 85.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.86 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 1.9 t30 -54.18 -43.56 70.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.754 173.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.08 92.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.738 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.09 -45.38 90.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.518 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 25' ' ' LYS . 46.1 mm -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.874 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.73 -34.3 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.467 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.85 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.41 -41.82 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.738 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 35.4 ttm180 -70.71 -20.09 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.641 -176.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 14.6 mm-40 -93.39 -44.61 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.39 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.19 -57.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -84.19 -16.57 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.029 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 17.6 tt0 . . . . . 0 CA--C 1.532 0.266 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.236 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.468 0.472 0 CA-C-O 121.149 0.499 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.774 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 14.4 m -59.47 97.74 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.091 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HG3' ' H ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -101.9 -78.28 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 168.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.828 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 3.9 m -64.15 -27.98 69.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 170.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.774 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 60.8 mt -61.54 -39.67 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.881 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -36.34 70.95 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.726 0.298 . . . . 0.0 110.499 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 84.1 t80 -60.89 -50.2 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.827 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 48' ' ' SER . 64.0 mt -59.34 -42.97 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.376 176.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -52.61 -48.42 66.33 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.983 177.293 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -77.19 -29.9 54.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.82 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.6 mm100 -64.73 -49.56 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 110.591 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 16' ' ' MET . 8.4 p -70.2 -29.74 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 30.6 ttt180 -58.71 -39.9 82.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.646 177.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -82.7 -24.92 33.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.65 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.05 28.54 6.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.894 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.75 -45.39 58.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 pt -115.4 165.3 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.3 p -84.42 163.7 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.097 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.8 tpt -66.84 -33.35 75.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.633 ' HE3' ' HA ' ' A' ' 129' ' ' ASP . 72.0 tttt -55.34 -54.27 45.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.687 175.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 31.3 mm-40 -64.53 -37.62 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.754 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 70' ' ' LEU . 38.2 t80 -56.93 -47.78 79.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.788 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 63' ' ' MET . 83.6 t -59.32 -42.83 88.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 70.8 mtp180 -59.04 -38.76 80.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 27.7 mmt180 -71.02 -42.48 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.687 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 66' ' ' PHE . 81.6 mt -63.64 -45.07 91.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.03 -177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' HG11 ' A' ' 124' ' ' VAL . . . -73.33 -24.49 60.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -84.24 -10.12 57.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 110.683 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.8 m -61.89 139.84 95.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.629 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 8.7 Cg_endo -49.83 -33.42 32.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.89 3.06 . . . . 0.0 113.87 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.05 -51.61 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.647 0.261 . . . . 0.0 110.722 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -71.4 -31.55 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.569 . . . . 0.0 109.626 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 74' ' ' PRO . 47.9 tpt85 -63.6 -30.9 71.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.421 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.49 -43.39 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.715 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.83 166.19 19.93 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.653 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 98.7 m-85 67.78 -64.93 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.058 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -68.47 -26.73 65.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.522 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.9 tm-20 -98.01 -57.4 0.17 Allowed Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.698 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 7.6 Cg_exo -74.53 -21.94 16.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.378 2.052 . . . . 0.0 113.931 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.653 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 98.8 m-85 -112.35 -179.48 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.988 0.423 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 tt -96.31 152.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.671 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -47.09 -57.47 5.04 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.509 0.723 . . . . 0.0 112.512 -172.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -59.14 -35.83 74.18 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 28.5 mmm180 -75.75 -41.27 53.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.19 94.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.957 0.408 . . . . 0.0 110.044 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.493 HD12 HD21 ' A' ' 123' ' ' LEU . 40.4 tp -56.38 -51.58 67.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.761 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HG3' ' HD2' ' A' ' 102' ' ' PRO . 41.6 tt0 -65.21 -41.91 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.282 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 90.9 mt -67.8 -32.3 72.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.85 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.837 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -57.58 -41.65 81.53 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.81 -33.39 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.548 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.8 -22.27 34.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 124' ' ' VAL . 83.8 mt -100.92 -57.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.027 0.441 . . . . 0.0 111.516 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 127' ' ' LEU . 49.0 mt -100.38 -33.89 10.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 -176.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.48 -8.54 67.98 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -87.93 -55.48 3.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.015 0.436 . . . . 0.0 110.908 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.46 167.86 32.62 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.65 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 108' ' ' VAL . 37.2 Cg_endo -67.07 119.36 6.38 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.437 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -96.25 -51.94 4.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 15.3 m -94.5 148.91 21.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 32.0 tpt180 -69.37 -40.68 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.594 0.235 . . . . 0.0 111.041 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.6 pm0 -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.147 0.499 . . . . 0.0 110.012 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 34.5 tt0 -61.54 -45.58 93.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.7 t -56.39 -48.48 79.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.024 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ARG . 27.6 mm-40 -56.2 -45.77 79.7 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.254 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 114' ' ' ILE . 60.4 tttm -55.72 -53.83 51.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.202 -178.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 107' ' ' GLU . 93.8 m-85 -79.34 -23.2 43.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.269 -175.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 35.2 t80 -64.34 -42.09 96.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 t -63.81 -37.88 89.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 111' ' ' TYR . 84.5 mt -62.35 -50.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.089 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.492 ' HB ' HD22 ' A' ' 123' ' ' LEU . 14.3 p -73.06 -26.71 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.8 m -77.17 -29.64 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.219 -0.301 . . . . 0.0 111.611 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 p -97.68 -56.51 2.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.762 0.315 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.89 -17.84 69.15 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.552 -176.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.11 -172.44 38.32 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 53.4 tp -63.53 -50.13 74.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -55.37 -35.53 91.91 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.159 1.906 . . . . 0.0 113.053 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.62 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.533 0.206 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -58.06 -52.94 63.46 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 97' ' ' ILE . 88.3 t -59.36 -47.75 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.051 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.35 -40.08 95.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 130' ' ' SER . . . -60.27 -35.16 74.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.143 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.661 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 97' ' ' ILE . 40.0 t -76.67 -35.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.633 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 38.4 t70 -85.39 -13.5 49.2 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.179 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 126' ' ' ALA . 1.1 t -62.59 120.84 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -66.52 -28.62 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -167.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.95 -37.9 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.824 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.538 ' HD2' ' HB3' ' A' ' 130' ' ' SER . 30.9 m-85 -71.3 -43.21 67.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.202 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.2 -35.97 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -73.37 -55.16 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.735 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -81.58 -33.41 31.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.0 131.66 5.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.419 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.88 -11.79 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.522 0.677 . . . . 0.0 110.097 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.75 -21.14 12.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 4.1 m -97.14 148.9 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.685 -171.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.56 132.64 95.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 167.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo . . . . . 0 C--N 1.358 1.044 0 C-N-CA 124.805 3.67 . . . . 0.0 114.465 -174.754 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 99.1 m-85 . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 121.293 0.568 . . . . 0.0 111.435 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -119.87 116.11 25.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 20' ' ' LEU . 41.1 ttm -81.2 86.26 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.522 0.677 . . . . 0.0 110.107 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -88.38 154.1 51.21 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.168 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.38 93.46 0.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.47 2.113 . . . . 0.0 111.015 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.5 33.87 0.12 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.03 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 16' ' ' MET . 66.1 mt -118.15 140.44 49.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.0 m -73.56 170.04 16.01 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.76 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.634 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.22 -42.22 85.8 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.131 0.491 . . . . 0.0 110.764 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.1 mm-40 -65.41 -43.79 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.299 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.8 mttp -62.02 -45.32 94.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HA ' HD12 ' A' ' 29' ' ' ILE . 91.4 m-20 -53.13 -42.3 65.9 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.241 0.338 . . . . 0.0 111.298 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.46 99.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.894 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 14' ' ' TYR . 45.7 t -67.23 -39.44 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.867 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 25' ' ' LYS . 68.7 mt -61.79 -42.4 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.26 0.553 . . . . 0.0 110.476 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -64.45 -32.8 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.508 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . -69.63 -30.88 68.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.905 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -46.5 83.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -63.2 -33.24 75.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.284 0.564 . . . . 0.0 110.302 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 7.9 tpm_? -63.33 -33.28 75.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.7 tp60 -105.3 -44.4 4.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mm -71.8 -35.68 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.597 -174.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 70' ' ' LEU . 63.6 m-85 -108.03 -29.14 9.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.954 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.683 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' HB3' HD12 ' A' ' 49' ' ' ILE . 6.5 m-85 . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.49 0.186 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 63.7 m 81.57 101.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 166.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 54.17 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 163.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.0 m -52.54 -40.48 62.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.184 -172.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 45' ' ' TYR . 36.0 mt -65.79 -34.74 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.976 0.417 . . . . 0.0 110.824 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -77.3 -34.09 55.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.898 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -61.79 -45.0 95.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.845 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.2 mt -62.26 -38.93 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.627 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.53 -50.35 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.177 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.561 ' HA ' ' CG ' ' A' ' 57' ' ' ARG . 13.1 t -65.03 -38.38 90.7 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.66 -42.88 99.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 111.512 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.14 -25.72 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.153 -176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.561 ' O ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 ppt_? -74.79 -21.93 59.04 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.004 -0.435 . . . . 0.0 111.268 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.2 -14.86 25.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.159 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.31 17.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.861 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.08 -40.82 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -114.39 153.34 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.279 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.1 p -83.35 173.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.84 -35.29 80.14 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.516 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -68.67 -28.86 67.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.166 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.767 ' HB3' HH21 ' A' ' 69' ' ' ARG . 45.4 mt-10 -77.54 -37.13 51.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.939 0.4 . . . . 0.0 110.13 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.579 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 18.7 t80 -64.02 -50.06 69.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.67 -47.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 176.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -57.79 -44.11 86.05 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.503 0.668 . . . . 0.0 110.484 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.767 HH21 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -69.38 -38.8 78.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 83.2 mt -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.97 -27.47 65.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.043 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 121' ' ' PRO . 47.1 mttp -81.79 6.72 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.0 p -77.99 149.37 76.71 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-O 120.847 0.356 . . . . 0.0 110.743 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 17.1 Cg_endo -59.19 -30.3 92.71 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.511 2.141 . . . . 0.0 111.295 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 1.9 mm? -63.8 -51.93 62.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.113 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -63.49 -46.98 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.28 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 14.0 ptt180 -70.55 -25.37 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.224 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.0 tmtt? -70.98 -43.61 67.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.007 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 76.3 mm-40 -75.08 -14.81 60.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.48 -46.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 120' ' ' LEU . 53.6 t80 -78.71 -14.55 59.23 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.48 -172.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.7 tt0 -93.15 -59.32 0.21 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 84.1 Cg_endo -80.53 3.01 8.07 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.999 1.799 . . . . 0.0 112.98 -174.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 88' ' ' ARG . 81.1 m-85 -131.34 156.11 46.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.6 HG13 ' H ' ' A' ' 88' ' ' ARG . 33.0 pt -75.23 159.32 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -55.74 -31.03 62.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -69.88 -41.46 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.03 0.443 . . . . 0.0 110.624 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.6 ' H ' HG13 ' A' ' 85' ' ' ILE . 11.1 tpp180 -73.74 -38.96 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.05 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.692 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 108' ' ' VAL . 22.4 tp -64.76 -46.27 82.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.906 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.03 -50.46 66.62 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.807 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.4 mt -63.2 -38.58 91.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.99 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.35 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 24.2 m-85 -59.96 -40.75 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.504 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 28.1 ttm-85 -83.25 -14.94 52.14 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.633 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -96.83 -39.52 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.187 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.53 -34.82 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 0.0 110.775 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.86 -40.49 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 88.22 -22.91 16.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.968 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 100' ' ' ARG . 19.4 ttt180 -66.1 -44.18 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.857 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.63 157.27 30.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.034 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' HG22 ' A' ' 108' ' ' VAL . 51.5 Cg_exo -55.16 125.05 17.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.385 2.724 . . . . 0.0 112.398 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -123.68 -26.24 4.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.918 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.0 m -129.28 148.21 51.19 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -60.3 -56.48 20.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.991 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.5 -38.49 71.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 111' ' ' TYR . 24.5 tt0 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.83 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 90' ' ' LEU . 93.3 t -56.9 -47.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.917 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.25 -36.63 82.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.385 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -60.6 -52.7 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' HD2' ' O ' ' A' ' 107' ' ' GLU . 96.7 m-85 -76.67 -22.57 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.24 -176.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.19 -37.88 88.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.895 0.379 . . . . 0.0 110.017 174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -42.31 94.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.887 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.64 -47.3 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.59 -20.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.743 0.306 . . . . 0.0 111.143 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 m -85.24 -53.14 5.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 111.194 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.7 t -74.8 -46.76 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.01 -175.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.57 -57.13 1.78 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.834 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.62 179.88 17.05 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.911 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.573 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 44.4 tp -64.4 -46.93 78.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.22 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.8 Cg_endo -54.68 -36.16 89.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.172 1.915 . . . . 0.0 112.264 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.4 -34.69 65.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.8 -42.91 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.79 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.87 -46.31 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.53 176.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.17 -47.61 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.624 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.89 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.962 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.27 -48.64 16.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.71 -20.54 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.984 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.38 -4.62 49.14 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.0 t -80.7 111.98 17.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.49 -26.66 68.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -55.91 -46.96 78.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.574 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.46 -30.74 37.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.55 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.05 95.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.73 -30.83 63.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.398 0.618 . . . . 0.0 110.255 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -64.08 -50.49 68.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.014 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.27 -41.47 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.824 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.27 172.77 17.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.877 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.22 -19.35 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.717 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -102.45 -35.54 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.25 -177.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 5.3 m -81.88 141.17 33.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.28 127.99 88.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 C--N 1.357 0.982 0 C-N-CA 124.291 3.328 . . . . 0.0 113.373 -175.861 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.666 0.269 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.7 26.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mmt -89.37 110.55 21.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.224 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -122.4 134.89 25.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.728 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.32 117.77 4.64 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.091 1.86 . . . . 0.0 110.366 171.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.18 -10.48 9.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.4 142.7 30.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -78.27 172.18 13.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.69 72.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.236 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.72 -47.14 76.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 mp0 -59.7 -47.51 85.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.517 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 29' ' ' ILE . 95.1 mttt -63.11 -40.74 98.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.02 -43.59 82.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.651 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.87 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.855 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 24' ' ' GLU . 97.2 t -65.18 -41.05 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 25' ' ' LYS . 80.5 mt -63.21 -47.27 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.77 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -62.45 -38.88 91.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.617 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.75 99.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.409 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.41 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.28 -41.47 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.961 0.41 . . . . 0.0 111.209 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -74.7 -19.44 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.785 -177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -100.06 -18.35 17.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -89.33 -51.38 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -93.04 -34.24 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 177.211 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CG ' HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -173.64 -81.98 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 pm0 -65.53 -29.79 70.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -167.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 m -67.89 -32.19 72.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.581 . . . . 0.0 110.284 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 45' ' ' TYR . 16.8 mt -69.06 -50.32 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.966 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 m -56.79 -36.86 70.35 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.079 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.61 -57.69 10.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.66 -36.9 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -54.49 -53.75 50.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -63.21 -34.34 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.53 -50.04 68.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.079 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -74.82 -29.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 0.0 110.756 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HD3' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.32 -38.12 82.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 178.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -91.04 -0.61 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.446 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.5 28.83 62.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.323 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.06 -29.06 57.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 28.8 pt -131.78 147.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.554 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.592 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 19.9 m -72.67 164.99 25.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 176.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 67' ' ' VAL . 95.5 mmm -64.69 -36.09 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.86 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' OE1' ' A' ' 65' ' ' GLU . 13.8 ptmm? -62.86 -32.29 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 5.1 mm-40 -75.62 -41.19 54.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.61 -44.74 93.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.501 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 63' ' ' MET . 94.1 t -62.81 -43.59 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HB2' HG11 ' A' ' 128' ' ' VAL . 45.1 ttp180 -62.67 -35.43 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mmp_? -63.97 -52.21 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.028 175.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.38 -47.1 86.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.93 -21.94 64.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.391 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.668 ' HE3' ' HB3' ' A' ' 125' ' ' ASP . 63.3 mttt -93.55 -4.13 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.586 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.6 m -74.25 142.24 78.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.18 -27.87 18.44 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.457 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 tp -64.58 -48.81 73.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.76 0.314 . . . . 0.0 111.127 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.16 -37.18 66.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 109.909 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.83 -24.51 66.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.222 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -70.74 -25.51 62.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.064 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -102.1 169.3 8.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.977 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 65.5 m-85 69.39 -49.13 0.61 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -79.89 -36.71 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.585 ' H ' ' HD2' ' A' ' 83' ' ' PRO . 34.8 tt0 -99.31 -54.41 0.18 Allowed Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.585 ' HD2' ' H ' ' A' ' 82' ' ' GLU . 18.3 Cg_endo -61.8 -36.02 75.84 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.793 1.662 . . . . 0.0 111.923 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 85.3 m-85 -108.53 171.66 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.515 HG13 ' H ' ' A' ' 88' ' ' ARG . 37.6 pt -89.6 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 26.2 p30 -62.91 -21.45 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.591 0.234 . . . . 0.0 111.534 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -68.03 -30.48 69.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.146 0.498 . . . . 0.0 109.889 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.515 ' H ' HG13 ' A' ' 85' ' ' ILE . 10.2 tpt180 -86.81 -36.83 18.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.795 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -59.38 -33.8 71.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.853 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -59.8 -47.58 85.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.074 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.43 -48.77 79.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.57 -44.37 93.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.185 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.86 76.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.724 0.297 . . . . 0.0 111.122 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 9.9 m-85 -64.01 -34.91 79.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.878 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.55 -29.57 27.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.177 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.05 -44.41 11.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.148 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.0 mt -83.16 -54.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.978 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -80.66 -19.26 45.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.827 -176.378 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 15.02 81.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.647 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -132.22 -78.72 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.957 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.516 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 136.49 172.03 12.45 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.43 118.24 5.29 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.536 2.157 . . . . 0.0 111.761 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.0 p -92.21 -54.33 3.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.027 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.9 m -100.97 151.75 21.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 -176.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -63.52 -36.39 83.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 106' ' ' GLU . 25.4 mp0 -59.24 -44.48 92.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.591 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.85 -40.75 94.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.35 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' SER . 76.2 t -59.78 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.804 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.94 -29.24 69.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.766 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.05 -58.35 8.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.461 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 79.4 m-85 -77.8 -24.74 48.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.623 -175.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.79 -36.34 84.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.185 0.517 . . . . 0.0 109.728 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -65.41 -38.87 91.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.756 176.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 111' ' ' TYR . 63.5 mt -61.3 -50.02 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.103 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 120' ' ' LEU . 11.4 p -68.19 -22.75 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.025 0.441 . . . . 0.0 111.109 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.3 t -79.29 -24.98 42.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.139 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.4 m -93.05 -60.63 1.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.576 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.06 6.52 59.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.643 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 115' ' ' VAL . . . 81.15 -166.36 48.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.465 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 52.3 tp -61.77 -49.23 87.08 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 11.3 Cg_endo -54.66 -35.19 86.33 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.382 2.055 . . . . 0.0 113.315 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.448 ' HA ' ' OD2' ' A' ' 125' ' ' ASP . . . -63.99 -35.31 80.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.984 0.421 . . . . 0.0 111.124 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 69.7 tp -67.25 -38.41 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.451 0.643 . . . . 0.0 109.959 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.0 t -62.87 -52.11 63.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.2 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.668 ' HB3' ' HE3' ' A' ' 72' ' ' LYS . 2.5 p30 -69.32 -25.12 64.06 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.861 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.44 97.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.405 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 133' ' ' TYR . 96.7 mt -76.19 -48.1 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.383 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' A' ' 68' ' ' ARG . 89.5 t -72.4 -29.33 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -78.11 -25.58 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.982 -0.449 . . . . 0.0 111.516 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 t -60.27 125.91 25.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.489 . . . . 0.0 110.681 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.541 HE21 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -69.49 -21.25 63.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -177.319 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.12 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.316 0.579 . . . . 0.0 110.0 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 11.4 m-85 -79.48 -25.39 41.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.459 -177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.86 88.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.69 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.25 -33.36 59.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.113 0.483 . . . . 0.0 110.646 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.47 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 55.3 t80 -61.54 -43.38 98.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.478 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.462 ' HZ ' ' HA ' ' A' ' 98' ' ' LEU . 68.7 m-85 -94.27 -41.25 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.282 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.24 131.39 7.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 33.0 mt-10 -67.28 -23.73 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -86.58 -25.89 24.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.297 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.1 m -91.16 144.18 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -171.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 45.5 t -79.0 122.17 84.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.402 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo . . . . . 0 C--N 1.346 0.402 0 C-N-CA 122.653 2.235 . . . . 0.0 112.18 179.762 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 N--CA 1.48 0.709 0 N-CA-C 110.917 -0.455 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -94.55 60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.428 0.632 . . . . 0.0 110.282 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 m -149.84 23.47 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.356 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 t80 58.91 78.39 0.26 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.507 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -156.98 146.04 20.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.819 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.51 167.58 6.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.75 70.01 7.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.142 0.496 . . . . 0.0 111.136 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.53 -25.03 29.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.411 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.67 90.93 8.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.32 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -105.76 -28.33 10.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.977 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 12.5 tpt180 -84.14 97.85 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -100.69 145.11 28.85 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.756 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -111.04 119.93 40.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.106 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -81.08 136.02 35.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.879 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' O ' HD11 ' A' ' 20' ' ' LEU . . . -148.44 135.33 20.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 9.4 mmt -80.02 92.5 5.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 109.778 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -135.24 154.54 78.84 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.616 -174.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.6 110.55 0.75 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.851 2.367 . . . . 0.0 112.565 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.87 41.53 0.34 Allowed Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.356 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 15' ' ' ALA . 90.9 mt -120.39 128.27 53.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.544 0.211 . . . . 0.0 110.587 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.8 m -81.49 172.11 13.9 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.001 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.86 79.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.763 0.315 . . . . 0.0 111.679 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.75 -37.18 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.872 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 11.4 mm-40 -67.03 -49.15 66.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.018 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.14 -35.63 79.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.96 -45.34 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.527 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.05 88.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.062 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 85.4 t -59.14 -49.29 83.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.988 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.85 -47.94 88.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.996 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.04 -36.49 83.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.735 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.02 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.25 87.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.626 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.588 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 74.2 m-85 -62.53 -41.71 99.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.743 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 24.9 mmm-85 -66.46 -18.97 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.847 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.755 ' HG2' ' HA ' ' A' ' 144' ' ' TYR . 4.4 tp-100 -94.04 -44.92 7.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.839 0.352 . . . . 0.0 111.075 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.485 HD11 HG13 ' A' ' 67' ' ' VAL . 46.3 mt -77.28 -40.66 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 0.0 111.499 -176.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -96.13 -2.03 47.31 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.6 pt-20 45.75 25.76 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.682 1.193 . . . . 0.0 113.262 176.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -154.85 170.64 21.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' OD1' ' HD3' ' A' ' 34' ' ' ARG . 7.4 t70 -96.4 98.9 10.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.006 0.432 . . . . 0.0 110.728 -175.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 33' ' ' TYR . 28.8 pt -87.76 140.27 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.491 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 t -167.92 173.06 8.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.508 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 56.03 -86.96 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.001 0.92 . . . . 0.0 112.69 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.42 73.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.269 0.556 . . . . 0.0 110.11 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -91.17 96.88 10.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.449 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.5 p -161.23 -156.36 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.996 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 67.73 -81.06 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 110.868 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 m -64.83 -35.41 81.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.038 0.447 . . . . 0.0 109.835 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 65.0 mt -64.29 -41.91 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.39 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 4.8 m -66.78 -35.92 81.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.386 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.45 -43.29 70.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.771 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 48' ' ' SER . 96.4 mt -64.9 -34.26 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.987 0.422 . . . . 0.0 110.231 176.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 50' ' ' SER . 34.1 tt0 -55.74 -55.7 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.331 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 p -64.79 -37.25 86.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.368 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -58.9 -47.08 86.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.746 0.308 . . . . 0.0 111.458 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.48 -25.28 12.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.898 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -62.38 -41.9 99.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.673 0.273 . . . . 0.0 110.791 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.97 -22.29 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.29 24.24 57.35 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -171.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.06 -44.59 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.262 0.553 . . . . 0.0 109.973 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 pt -109.33 152.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.119 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -73.23 150.62 41.9 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.2 tpt -63.83 -18.52 64.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.422 0.63 . . . . 0.0 110.239 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 150' ' ' HIS . 53.4 tttp -70.12 -43.83 70.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.823 178.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.769 ' HA ' ' HG2' ' A' ' 68' ' ' ARG . 31.3 tt0 -69.77 -36.31 75.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.018 -178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 89.4 t80 -53.98 -48.12 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.991 175.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG21 ' HE1' ' A' ' 150' ' ' HIS . 53.5 t -65.95 -47.8 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.118 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.769 ' HG2' ' HA ' ' A' ' 65' ' ' GLU . 21.7 ptt180 -64.94 -29.96 70.93 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.964 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HE ' ' HG2' ' A' ' 65' ' ' GLU . 61.6 mtt180 -64.6 -48.39 75.11 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.5 mt -61.69 -45.77 92.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.392 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.67 63.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.935 0.398 . . . . 0.0 111.525 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -97.87 3.86 49.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.096 0.474 . . . . 0.0 110.611 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.4 m -75.63 149.23 83.42 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.635 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -55.01 -26.66 50.69 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.234 2.622 . . . . 0.0 112.705 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.39 -57.62 11.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.717 0.294 . . . . 0.0 110.479 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -66.22 -36.91 84.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.098 0.475 . . . . 0.0 109.742 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.571 ' HA ' HD23 ' A' ' 120' ' ' LEU . 58.8 ttt180 -61.9 -31.84 72.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.235 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -90.57 -52.26 4.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.245 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -59.94 -29.42 68.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.74 16.36 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -141.48 -35.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.527 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 10.3 tp10 -55.3 -52.57 70.38 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 19.5 Cg_endo -93.44 20.31 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.333 2.022 . . . . 0.0 111.903 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -137.75 -173.39 3.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.942 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 pt -127.73 179.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.933 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -57.41 -47.03 82.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.169 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.1 p -65.45 -32.66 74.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.46 -177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -79.04 -37.65 38.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.348 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' HB1' HD13 ' A' ' 120' ' ' LEU . . . -63.57 -33.82 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 175.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -56.98 -51.72 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.74 -44.65 96.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.39 -43.27 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.248 -177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.78 67.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 10.5 m-85 -54.6 -45.08 73.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.448 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 95' ' ' ARG . 42.7 ttm180 -63.97 -32.09 73.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.72 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -86.54 -41.27 14.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.412 HD12 HD12 ' A' ' 127' ' ' LEU . 77.8 mt -84.69 -52.12 12.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.82 0.343 . . . . 0.0 111.877 -174.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 127' ' ' LEU . 77.8 mt -95.72 -24.86 16.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.887 0.375 . . . . 0.0 111.332 -174.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.87 86.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.846 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.567 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 44.6 ttp180 -131.07 138.36 49.54 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.65 161.67 40.68 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.327 176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.653 ' HB2' HG22 ' A' ' 108' ' ' VAL . 9.2 Cg_endo -54.12 115.35 2.3 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.617 2.211 . . . . 0.0 111.179 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -101.95 -44.51 5.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.407 -172.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 108' ' ' VAL . 11.8 m -94.59 144.44 25.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.029 -175.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -58.63 -44.82 90.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.822 0.344 . . . . 0.0 110.951 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -57.02 -46.71 82.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.628 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 104' ' ' SER . 66.5 tt0 -57.04 -52.84 63.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.291 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' A' ' 102' ' ' PRO . 85.3 t -51.3 -59.99 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.047 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.84 -25.86 64.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.714 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -66.82 -55.9 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.153 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -77.56 -22.91 50.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.999 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 115' ' ' VAL . 81.2 t80 -62.38 -36.68 83.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.3 m -64.89 -36.7 85.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.482 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.94 -45.98 79.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 112' ' ' PHE . 8.0 p -72.87 -17.94 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 111.501 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 m -85.22 -39.45 17.77 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.218 -0.301 . . . . 0.0 111.193 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.0 p -89.06 -64.28 1.17 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.707 0.289 . . . . 0.0 111.643 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -77.83 -25.61 62.15 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.984 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.77 23.79 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.745 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.571 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.1 tp -63.89 -47.96 79.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.718 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -53.53 -38.07 83.19 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.38 -37.25 74.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.902 0.382 . . . . 0.0 110.371 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.33 -39.4 94.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.744 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 120' ' ' LEU . 91.8 t -58.45 -52.1 63.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.736 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.87 -38.76 86.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.944 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.67 95.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.733 0.301 . . . . 0.0 111.457 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 98' ' ' LEU . 95.7 mt -77.45 -50.06 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.398 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 68' ' ' ARG . 92.8 t -66.28 -46.81 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.708 -175.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.98 5.04 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 111.374 -174.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.6 t -57.35 119.04 5.77 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.924 0.393 . . . . 0.0 110.211 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.835 HE21 ' HA ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -62.99 -28.05 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.692 -176.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.44 -57.87 10.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.165 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 137' ' ' PHE . 1.6 m-85 -68.52 -22.27 64.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.384 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.688 ' HB1' ' H ' ' A' ' 152' ' ' HIS . . . -78.49 -61.66 1.93 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.078 0.466 . . . . 0.0 111.624 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -68.2 -32.51 72.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -90.4 -21.86 21.74 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.751 ' HB3' ' HB3' ' A' ' 148' ' ' LEU . 54.2 m-85 -100.64 -27.4 13.41 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -169.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.718 ' O ' ' HA ' ' A' ' 150' ' ' HIS . . . 102.26 146.65 18.25 Favored Glycine 0 C--O 1.222 -0.65 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.837 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.776 ' HA ' ' H ' ' A' ' 151' ' ' HIS . 0.8 OUTLIER -85.27 -16.74 39.13 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -172.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.08 -35.57 21.75 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.563 HG21 HD13 ' A' ' 148' ' ' LEU . 2.7 m -62.73 128.86 37.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 143' ' ' PRO . 60.0 t -75.03 135.9 73.43 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.534 ' HD3' ' CE1' ' A' ' 150' ' ' HIS . 72.8 Cg_endo -77.93 83.31 2.22 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.385 2.056 . . . . 0.0 112.662 -176.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.755 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 39.9 p90 -88.48 163.99 15.67 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.29 124.58 19.37 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 146' ' ' ARG . 7.5 tpt180 68.06 30.7 5.8 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.834 0.826 . . . . 0.0 109.735 -175.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.98 -136.24 8.63 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.889 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.751 ' HB3' ' HB3' ' A' ' 137' ' ' PHE . 5.5 mp -138.4 148.49 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.574 0.226 . . . . 0.0 111.037 -176.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 150' ' ' HIS . 6.5 tp10 -91.17 174.1 7.58 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.718 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 11.3 m80 -100.17 153.35 19.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.315 0.578 . . . . 0.0 111.897 -170.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.776 ' H ' ' HA ' ' A' ' 139' ' ' GLU . 11.2 t-160 -81.07 124.56 29.3 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.815 177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.688 ' H ' ' HB1' ' A' ' 134' ' ' ALA . 20.4 t-80 -99.54 149.09 23.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.565 ' HB2' ' O ' ' A' ' 152' ' ' HIS . 1.7 m-70 71.97 173.65 0.3 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.679 0.612 . . . . 0.0 109.838 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -122.87 -48.73 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 168.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 . . . . . 0 C--O 1.244 0.77 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.36 167.763 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 N--CA 1.474 0.355 0 N-CA-C 110.267 -0.705 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -89.19 116.66 27.6 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -76.73 46.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 62.32 -85.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.143 -175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.4 t80 69.81 -58.04 0.54 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.221 0.609 . . . . 0.0 111.548 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -118.8 116.11 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.986 0.422 . . . . 0.0 110.169 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.06 99.23 10.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.56 -169.63 3.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.909 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.34 -166.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -71.16 -43.06 68.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.56 0.695 . . . . 0.0 109.346 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -102.05 108.58 20.06 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.058 172.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -55.87 126.87 27.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.228 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.736 ' HB3' HG23 ' A' ' 141' ' ' THR . 94.3 mttt -75.73 149.58 38.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.651 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' HB2' ' HB ' ' A' ' 142' ' ' VAL . 90.9 m-85 -85.29 82.22 8.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 172.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -111.2 133.52 53.48 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.837 -173.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG11 ' A' ' 28' ' ' VAL . 34.7 mtp -88.32 70.2 9.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.292 0.568 . . . . 0.0 109.734 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -102.47 148.72 35.88 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.422 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.13 135.13 67.52 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.948 2.432 . . . . 0.0 112.142 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.1 41.25 2.47 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.256 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -131.24 175.93 8.7 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.516 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 21.6 t -106.72 167.06 10.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.96 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.55 87.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.189 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -40.45 94.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.516 ' HG2' ' HB3' ' A' ' 21' ' ' SER . 21.2 mm-40 -60.17 -47.06 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.082 0.467 . . . . 0.0 110.216 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' ILE . 96.5 mttt -67.59 -36.4 80.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -61.84 -38.5 88.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.041 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.85 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.221 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 16' ' ' MET . 79.0 t -61.17 -44.02 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.857 177.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 25' ' ' LYS . 48.0 mm -59.22 -46.83 91.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.071 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.81 -42.8 90.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.662 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.71 75.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.776 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.01 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.876 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -58.87 -41.12 86.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.779 0.324 . . . . 0.0 111.482 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 14.3 ttp180 -62.72 -34.05 76.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.649 -177.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.749 ' HA ' ' HA2' ' A' ' 147' ' ' GLY . 21.6 mt-30 -104.59 -17.88 14.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.8 mm -80.93 -40.56 18.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -97.25 -29.76 13.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.538 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 56.44 35.49 26.03 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.493 0.663 . . . . 0.0 110.222 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -175.85 154.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.432 -173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -76.35 144.66 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 pt -92.04 171.05 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.763 0.316 . . . . 0.0 110.817 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.54 ' HB ' ' CE2' ' A' ' 45' ' ' TYR . 5.3 m -86.03 139.71 30.92 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.424 -173.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG3' HG22 ' A' ' 42' ' ' THR . 63.3 mttm 51.4 -125.43 2.33 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.81 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -128.57 59.37 1.54 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.349 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 42' ' ' THR . 22.8 m-85 -65.3 97.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.689 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 32.9 p -156.38 19.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -65.05 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.04 0.448 . . . . 0.0 110.557 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 5.0 m -70.16 -20.14 63.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.352 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 57.5 mt -68.98 -49.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.448 ' OG ' ' HB2' ' A' ' 46' ' ' SER . 49.3 m -71.75 -26.74 62.58 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.395 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.634 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 79.7 t80 -58.33 -52.32 66.11 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 48' ' ' SER . 90.3 mt -64.25 -33.25 75.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.012 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 57' ' ' ARG . 1.0 OUTLIER -59.24 -50.71 72.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.315 177.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 p -64.14 -28.36 69.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.7 0.286 . . . . 0.0 110.862 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.9 mm100 -64.45 -52.39 58.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.25 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' SD ' ' A' ' 16' ' ' MET . 14.1 p -71.74 -33.4 48.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.901 -178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 57' ' ' ARG . 12.5 ttm180 -61.49 -45.92 92.19 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 110.558 177.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -75.34 -9.91 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.01 26.86 35.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.534 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.59 -41.61 21.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.156 0.503 . . . . 0.0 109.751 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.7 pt -123.96 148.72 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.725 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 p -87.4 163.41 16.78 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 67' ' ' VAL . 17.9 mmt -60.54 -31.44 70.54 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.27 -47.38 65.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.219 176.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -80.78 -31.33 35.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.371 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.03 -49.7 76.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.106 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 63' ' ' MET . 90.2 t -60.81 -46.84 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.449 176.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -55.97 -47.49 77.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.277 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 ttm105 -70.74 -29.15 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.473 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.84 -38.59 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.742 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.51 -19.7 61.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.459 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -79.57 -0.3 32.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.4 p -71.07 144.61 90.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.005 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.48 -32.22 93.43 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.759 2.306 . . . . 0.0 112.232 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.85 -48.27 79.75 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.962 0.41 . . . . 0.0 110.182 177.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -63.54 -44.64 93.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.63 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.52 ' HA ' HD23 ' A' ' 120' ' ' LEU . 71.5 ttt180 -58.47 -33.93 70.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.71 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -80.27 -56.37 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -75.47 -12.94 60.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -169.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.513 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.3 t80 -103.02 -17.83 15.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.591 0.234 . . . . 0.0 111.501 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HB2' HD22 ' A' ' 120' ' ' LEU . 72.2 t80 -120.51 -37.17 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 42.9 tt0 -69.06 -52.47 15.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -173.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 71.8 Cg_endo -77.76 11.23 2.3 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.894 1.729 . . . . 0.0 112.752 -178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -126.12 160.1 31.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.208 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 88' ' ' ARG . 25.7 pt -84.42 153.68 3.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -52.7 -43.65 65.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.527 0.517 . . . . 0.0 111.777 -173.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 91' ' ' GLU . 13.4 p -66.67 -40.15 88.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.574 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' H ' HG13 ' A' ' 85' ' ' ILE . 22.3 ttm180 -77.72 -29.07 51.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.726 0.298 . . . . 0.0 110.632 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.12 81.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.9 tp -64.64 -45.31 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.181 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 87' ' ' SER . 40.9 mt-10 -59.52 -45.39 91.88 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.773 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD22 ' HE1' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -64.65 -43.48 93.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.138 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.41 78.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -55.21 -48.67 73.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.257 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' HD3' ' A' ' 146' ' ' ARG . 49.8 ttm-85 -80.87 -19.76 43.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.855 -171.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -89.75 -38.99 13.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.703 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.512 HD12 HD12 ' A' ' 127' ' ' LEU . 73.1 mt -88.09 -54.35 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.481 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -95.13 -27.69 15.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.278 -176.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.03 -3.65 67.16 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.187 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' A' ' 103' ' ' SER . 33.8 mtp85 -97.38 -171.69 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.046 0.45 . . . . 0.0 111.311 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.96 173.36 24.13 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HB3' HG22 ' A' ' 108' ' ' VAL . 70.1 Cg_exo -52.3 108.03 0.23 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.076 2.517 . . . . 0.0 112.585 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.478 ' HB2' HH21 ' A' ' 100' ' ' ARG . 29.7 t -78.45 -42.95 28.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -178.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 35.6 p -144.59 160.54 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -58.97 -33.58 70.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.663 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -70.86 -40.73 72.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.505 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.8 -46.62 89.82 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.162 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' SER . 93.9 t -55.93 -57.19 9.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.996 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.57 -27.59 68.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.974 -175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.76 -53.74 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.111 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.3 m-85 -79.82 -25.4 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.195 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.38 -40.04 92.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.095 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.7 m -65.59 -37.41 86.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.067 0.461 . . . . 0.0 110.259 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 111' ' ' TYR . 68.8 mt -64.18 -51.51 67.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.2 p -67.29 -27.4 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 111.117 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.6 m -81.41 -14.12 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.186 -0.321 . . . . 0.0 111.262 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -97.83 -45.22 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.13 -1.87 29.9 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.341 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.57 -171.27 49.33 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.241 -0.98 . . . . 0.0 112.25 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 38.2 tp -61.16 -48.84 90.77 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -53.96 -32.69 69.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.365 2.043 . . . . 0.0 112.999 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.57 59.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.868 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.28 -43.81 93.64 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.79 -43.83 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.898 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.38 -51.31 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.058 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.1 -30.51 68.15 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.607 0.567 . . . . 0.0 112.399 -176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.512 HD12 HD12 ' A' ' 97' ' ' ILE . 96.2 mt -85.1 -38.24 19.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.752 0.31 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.76 -24.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -173.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.08 -18.73 62.53 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.215 -0.303 . . . . 0.0 111.388 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 66.4 m -58.47 130.83 48.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.92 -29.61 70.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.521 172.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -58.27 -41.17 83.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.031 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.914 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 79.6 t80 -64.61 -50.09 68.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.901 177.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.72 85.16 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.99 -62.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -71.43 -41.98 68.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.668 0.27 . . . . 0.0 111.513 -171.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.914 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 47.3 m-85 -86.86 -41.45 14.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 108.71 120.1 4.36 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.522 176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.79 -14.65 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.52 0.676 . . . . 0.0 109.781 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 22.0 mt-10 -92.83 -2.83 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.088 178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 13' ' ' LYS . 46.8 m -94.76 135.87 35.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.529 -171.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 14' ' ' TYR . 50.0 t -91.78 140.14 24.94 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 168.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 142' ' ' VAL . 80.3 Cg_exo -25.35 118.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 125.081 3.854 . . . . 0.0 115.055 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -40.29 86.86 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.552 175.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 9.4 mp -105.11 -167.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.308 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 95' ' ' ARG . 15.8 mmm180 73.86 178.1 0.23 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.722 0.639 . . . . 0.0 111.698 172.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 35' ' ' GLN . . . 111.48 -51.49 0.7 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.635 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 148' ' ' LEU . 4.2 mm? 53.46 87.12 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 122.121 0.963 . . . . 0.0 112.063 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 149' ' ' GLU . 8.2 pt-20 -89.39 16.95 6.69 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.51 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -112.62 21.74 15.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -74.08 -11.77 60.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.213 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -83.41 122.2 28.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.918 0.39 . . . . 0.0 110.916 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -103.34 139.53 38.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -88.54 19.49 3.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.905 0.383 . . . . 0.0 111.404 -171.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.069 171.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo . . . . . 0 N--CA 1.482 0.803 0 N-CA-C 111.267 -0.32 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.57 116.32 7.4 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 62.58 25.15 14.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.09 -176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 64.8 -80.71 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.972 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -116.04 140.8 48.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.906 0.384 . . . . 0.0 109.978 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -103.92 121.14 42.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.863 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.71 117.94 35.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.308 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.4 -177.41 6.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.556 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.56 121.69 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.284 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.16 88.3 5.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.36 0.6 . . . . 0.0 111.733 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -173.81 168.37 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.251 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 64.93 168.15 0.18 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.759 0.79 . . . . 0.0 112.696 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -130.33 131.52 45.43 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.92 101.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 111.234 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.1 132.71 32.47 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.188 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.0 ttm -81.04 95.69 6.9 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.448 0.642 . . . . 0.0 110.035 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 61.1 mttm -98.1 144.48 28.12 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.65 107.02 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.636 2.224 . . . . 0.0 110.986 173.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -17.99 4.27 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.144 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.19 140.09 50.37 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -74.62 167.84 20.96 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.638 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' HB1' ' NH2' ' A' ' 57' ' ' ARG . . . -56.91 -45.13 82.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.948 -177.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.58 -38.98 86.39 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.897 0.38 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 28' ' ' VAL . 33.3 mm-40 -66.5 -41.78 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.817 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.19 -38.78 90.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.37 -42.66 87.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.172 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.21 87.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.948 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 24' ' ' GLU . 47.6 t -66.12 -42.01 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.786 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.572 HD13 ' HB2' ' A' ' 53' ' ' GLU . 64.2 mt -64.96 -44.77 96.06 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.19 0.519 . . . . 0.0 110.2 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -61.61 -42.74 99.31 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.975 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.979 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.96 90.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.636 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.96 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.87 -31.33 72.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.014 178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -93.36 -42.8 9.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.349 . . . . 0.0 111.722 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mm -72.83 -43.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.681 0.277 . . . . 0.0 111.665 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -109.97 -34.03 6.54 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.242 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 60.58 26.09 15.78 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.813 0.816 . . . . 0.0 109.718 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -165.53 150.27 8.75 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.943 -170.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' OD2' ' HE3' ' A' ' 43' ' ' LYS . 26.5 t70 -73.14 107.81 5.68 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 170.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 pt -61.29 152.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.469 -173.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.605 ' HB ' HD11 ' A' ' 75' ' ' LEU . 61.2 m -59.87 104.84 0.33 Allowed 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.551 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HE3' ' OD2' ' A' ' 40' ' ' ASP . 88.3 mttt -61.08 102.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.067 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 170.35 -23.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.457 -1.701 . . . . 0.0 107.853 -168.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.671 ' HB3' HD23 ' A' ' 75' ' ' LEU . 22.9 p90 -55.06 155.1 4.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.437 171.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.7 t -59.97 151.3 26.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.81 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -66.67 -8.78 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.823 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.7 t -57.35 -27.45 62.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.181 175.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.9 mm -63.0 -39.63 85.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.339 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 12.3 t -72.38 -31.26 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.546 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 35.8 t80 -66.4 -38.6 87.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.808 176.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.3 mt -61.22 -46.54 90.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.362 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.572 ' HB2' HD13 ' A' ' 29' ' ' ILE . 12.4 pt-20 -66.63 -32.9 74.52 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.664 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.5 p -71.85 -33.1 68.15 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.931 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 44.5 mt-30 -68.62 -48.92 62.85 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.834 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -64.35 -34.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' NH2' ' HB1' ' A' ' 22' ' ' ALA . 28.3 ttt180 -61.93 -48.72 79.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.94 -21.6 62.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.76 28.67 6.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.781 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 55' ' ' GLN . 42.8 m-20 -82.0 -37.5 26.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.908 0.385 . . . . 0.0 110.719 178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.2 pt -126.77 149.37 31.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.306 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -77.63 168.29 20.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.401 ' O ' HG23 ' A' ' 67' ' ' VAL . 37.1 tpp -62.98 -37.17 86.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.227 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' A' ' 64' ' ' LYS . 28.7 ttpt -57.06 -39.48 75.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.337 0.589 . . . . 0.0 109.958 174.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB3' HH11 ' A' ' 69' ' ' ARG . 74.4 mm-40 -74.29 -33.05 63.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.788 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.452 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.0 t80 -62.36 -43.66 98.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 63' ' ' MET . 94.3 t -59.31 -46.35 92.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.419 174.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.519 ' HB2' HG11 ' A' ' 128' ' ' VAL . 2.3 ttm180 -53.8 -48.66 69.63 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.566 HH11 ' HB3' ' A' ' 65' ' ' GLU . 4.2 mpt_? -69.08 -36.77 77.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.564 -177.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 70.7 mt -67.11 -38.06 84.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.674 0.273 . . . . 0.0 111.06 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.8 -24.95 60.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.973 0.416 . . . . 0.0 110.739 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -81.52 -12.66 58.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.077 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.8 m -75.43 148.42 83.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.188 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.66 -42.3 50.58 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.633 2.889 . . . . 0.0 113.465 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' ' 45' ' ' TYR . 3.5 mm? -64.95 -23.37 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.79 -45.92 11.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.389 0.614 . . . . 0.0 109.76 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG2' HD23 ' A' ' 120' ' ' LEU . 21.1 mtp180 -70.64 -45.2 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.701 -176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.37 -13.75 60.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.531 -172.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.795 HE21 ' HA ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -106.82 -46.18 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -177.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -94.88 -18.29 21.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -170.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ALA . 87.5 t80 -89.6 -71.66 0.6 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.4 tt0 -75.51 -49.68 3.71 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -169.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 93.8 Cg_exo -47.92 -34.29 22.05 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 122.335 2.023 . . . . 0.0 113.191 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.517 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 m-85 -87.46 -83.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.525 HG23 ' H ' ' A' ' 88' ' ' ARG . 10.8 tp 167.89 155.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -53.53 -47.86 69.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.1 m -60.57 -26.66 67.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.005 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.525 ' H ' HG23 ' A' ' 85' ' ' ILE . 15.1 tpp180 -86.33 -38.27 17.64 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' ' 81' ' ' PHE . . . -62.81 -40.95 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.586 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 94' ' ' PHE . 49.5 tp -57.69 -47.13 83.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.32 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -66.19 -46.28 77.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.031 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.23 -50.43 70.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.745 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.26 86.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.154 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -56.19 -58.97 5.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.823 -178.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 16.7 ptt85 -74.58 -18.39 60.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.782 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.6 -28.89 22.99 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.36 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.9 mt -99.48 -49.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.166 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.24 -5.15 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.46 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.87 -30.26 3.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.715 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -109.86 130.93 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.801 -0.235 . . . . 0.0 110.525 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.18 166.76 54.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.138 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.02 125.7 19.95 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.11 2.54 . . . . 0.0 112.396 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 m -107.86 -50.46 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.9 t -102.29 147.16 27.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.978 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -65.25 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.294 177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.28 -43.14 98.75 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.3 -47.07 87.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.383 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 104' ' ' SER . 85.7 t -58.17 -54.44 32.44 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.763 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.36 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 111.5 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.32 -44.89 95.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -89.89 -25.61 20.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.58 -39.89 95.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.935 0.398 . . . . 0.0 110.421 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.5 p -70.25 -24.37 63.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.657 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 72.5 mt -73.92 -48.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.465 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -70.41 -24.98 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.287 0.565 . . . . 0.0 110.611 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -30.05 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.043 0.449 . . . . 0.0 110.143 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.1 t -82.85 -62.4 1.61 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.106 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -108.37 15.98 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.302 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.36 -160.52 53.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.861 177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.617 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 46.3 tp -67.22 -46.7 51.17 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.145 -0.455 . . . . 0.0 112.149 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.5 Cg_endo -49.04 -45.88 27.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.533 2.155 . . . . 0.0 113.134 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.71 -39.72 94.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.96 0.41 . . . . 0.0 110.818 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 56.0 tp -64.69 -43.45 93.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.213 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' LEU . 93.6 t -57.07 -52.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.986 178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.94 -41.34 91.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.362 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.88 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.558 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 93.1 mt -82.53 -51.83 7.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.168 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 68' ' ' ARG . 75.5 t -63.63 -47.18 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -172.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.49 17.67 15.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.635 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 p -65.76 127.86 33.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -66.45 -24.49 66.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.349 -172.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 41.8 mt-10 -68.03 -46.35 71.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.03 176.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.428 ' OH ' ' HG3' ' A' ' 143' ' ' PRO . 29.3 t80 -66.39 -45.93 78.37 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.746 177.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.0 73.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.836 -176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.05 -33.93 26.34 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.462 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 16.2 t80 -62.05 -55.64 27.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.983 -176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -94.46 -41.75 9.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.127 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 113.68 149.66 10.3 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.706 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -89.69 -15.61 32.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.933 0.397 . . . . 0.0 110.764 -177.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.37 -23.95 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.981 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.4 m -90.56 145.39 24.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.805 -172.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.84 131.1 68.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.495 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.428 ' HG3' ' OH ' ' A' ' 133' ' ' TYR . 33.3 Cg_exo -56.8 107.92 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.744 2.296 . . . . 0.0 112.095 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -119.61 137.54 53.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.381 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 98.2 mt -87.19 84.36 7.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.256 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -143.77 -70.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.756 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 80.36 -87.78 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.624 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.816 ' HG ' ' H ' ' A' ' 150' ' ' HIS . 2.7 pt? -74.04 -176.36 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.665 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -82.82 11.55 5.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.735 -176.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.816 ' H ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 m170 60.39 51.98 5.03 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 74.6 m80 67.06 -110.24 0.14 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -169.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 65.13 -71.53 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.812 0.695 . . . . 0.0 111.108 174.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -147.35 123.53 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.706 0.288 . . . . 0.0 110.225 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -95.58 -22.14 17.8 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 47.8 t60 . . . . . 0 C--O 1.244 0.793 0 CA-C-N 115.056 -0.974 . . . . 0.0 108.895 174.746 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 N--CA 1.476 0.482 0 N-CA-C 111.347 -0.29 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 56.53 -95.07 0.05 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.416 0.687 . . . . 0.0 112.187 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -124.26 2.61 8.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.716 0.293 . . . . 0.0 110.534 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 68.39 170.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -162.44 148.87 13.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.312 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -129.22 -40.96 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.99 96.72 9.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.011 0.434 . . . . 0.0 110.479 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.91 -73.64 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.521 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 58.71 -90.21 0.03 OUTLIER 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.734 0.646 . . . . 0.0 111.038 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -130.44 -60.7 0.99 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.845 0.355 . . . . 0.0 110.659 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 51.59 59.37 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 122.023 0.916 . . . . 0.0 108.852 -171.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -81.11 158.67 24.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.926 -1.488 . . . . 0.0 111.321 -171.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -83.02 156.31 23.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.553 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -93.9 161.18 14.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.241 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.55 133.4 14.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.3 tpp -86.11 90.81 8.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.21 0.529 . . . . 0.0 109.895 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -121.42 148.68 50.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.026 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -57.55 -27.91 78.72 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.209 2.606 . . . . 0.0 113.443 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.45 34.93 2.44 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.187 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 71.1 mt -125.05 135.03 52.35 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 18.9 m -81.08 -177.78 6.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.207 178.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.73 81.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.733 -176.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -47.27 80.11 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.873 0.368 . . . . 0.0 111.024 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 2.6 mp0 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.554 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 37.2 mttp -62.44 -35.69 80.07 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.252 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -57.74 -45.47 85.79 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.673 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.06 94.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.677 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.569 HG13 HG21 ' A' ' 142' ' ' VAL . 90.6 t -63.07 -48.3 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.156 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 25' ' ' LYS . 41.5 mm -59.54 -48.28 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.225 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.15 -42.47 96.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.347 -177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.36 93.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.1 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.122 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HZ ' ' A' ' 66' ' ' PHE . 55.4 m-85 -66.18 -36.36 82.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.106 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 2.0 ttp180 -78.38 -6.4 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.039 -177.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' HG2' ' HB2' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -103.84 -25.76 12.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.86 0.362 . . . . 0.0 111.016 177.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.7 -40.4 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -112.56 -4.41 14.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.82 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 1.3 mp0 57.42 15.0 2.45 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.383 0.673 . . . . 0.0 112.519 -177.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -158.89 174.74 14.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.836 0.35 . . . . 0.0 110.974 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.89 140.87 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.763 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.0 pt -124.3 155.87 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.255 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.592 ' HB ' ' HB2' ' A' ' 45' ' ' TYR . 50.5 m -71.06 136.24 48.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.803 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 49' ' ' ILE . 11.5 mptt -64.7 -48.2 75.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.568 0.699 . . . . 0.0 109.48 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.85 19.02 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.237 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.592 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 3.4 t80 -65.16 -36.02 82.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.136 0.493 . . . . 0.0 109.966 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 t -143.62 4.84 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.91 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 69.83 -41.59 0.49 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.669 0.788 . . . . 0.0 112.286 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.7 m -59.43 -22.57 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.476 ' HB ' ' O ' ' A' ' 43' ' ' LYS . 44.9 mm -64.15 -47.08 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.982 176.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.191 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 64.2 t80 -58.21 -49.19 77.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.547 178.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 48' ' ' SER . 85.4 mt -68.79 -44.04 74.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -55.77 -47.05 77.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.965 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -62.98 -48.46 78.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.928 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 50.2 mt-30 -54.44 -52.92 60.28 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.81 -34.86 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.961 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 57' ' ' ARG . 17.6 ttm180 -67.72 -41.51 83.39 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.93 0.395 . . . . 0.0 110.652 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -67.25 -21.59 65.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.702 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.99 18.32 40.5 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.62 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.04 -44.81 25.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.963 0.411 . . . . 0.0 110.772 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 39.1 pt -120.27 167.67 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.401 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 m -99.48 176.04 5.64 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.998 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.42 -30.23 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.77 -54.1 43.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.348 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 46.7 mm-40 -63.9 -37.36 87.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.587 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' HZ ' ' CZ ' ' A' ' 33' ' ' TYR . 41.2 t80 -64.44 -52.2 59.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.052 -177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.4 -42.18 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.218 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.569 ' HB2' HG11 ' A' ' 128' ' ' VAL . 29.8 ttm105 -54.57 -51.64 64.62 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.117 0.484 . . . . 0.0 110.894 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -70.31 -25.43 63.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.477 -174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.8 mt -73.32 -45.91 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.709 0.29 . . . . 0.0 110.669 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.67 62.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -76.18 -18.31 59.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.787 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.5 m -71.57 149.39 93.38 Favored Pre-proline 0 C--O 1.238 0.488 0 CA-C-O 121.323 0.582 . . . . 0.0 111.857 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -56.66 -26.03 62.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.046 2.497 . . . . 0.0 112.074 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.84 -36.35 80.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.146 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.489 ' HD2' HD21 ' A' ' 120' ' ' LEU . 45.2 t80 -80.72 -27.86 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.808 178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -59.09 -28.49 66.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 172.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -93.51 -38.87 11.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.249 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -98.5 112.01 24.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.437 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 68.42 22.86 7.72 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -100.01 -45.48 5.66 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 167.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 84' ' ' PHE . 8.7 mm-40 61.22 104.04 0.03 OUTLIER Pre-proline 0 N--CA 1.457 -0.098 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.578 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.7 65.53 0.2 Allowed 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.645 2.896 . . . . 0.0 112.417 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.683 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 97.2 m-85 -133.31 -162.32 1.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.414 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.499 HG12 ' H ' ' A' ' 87' ' ' SER . 15.7 tt -63.6 135.33 27.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.001 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -61.71 -17.42 55.61 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.817 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.2 m -61.47 -14.56 29.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.902 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -104.54 -42.25 5.49 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.425 0.631 . . . . 0.0 110.723 174.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.62 70.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.645 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.88 -58.8 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -64.97 -30.98 72.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.843 -0.162 . . . . 0.0 111.246 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.5 mt -63.27 -43.84 96.81 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.043 0.449 . . . . 0.0 110.473 176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.62 -46.33 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.383 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' A' ' 98' ' ' LEU . 9.0 m-85 -55.94 -38.11 69.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.297 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -60.07 -50.28 74.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.553 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.46 ' O ' ' HD3' ' A' ' 146' ' ' ARG . 11.0 m80 -80.54 -33.91 35.93 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.4 -45.29 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.637 -176.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD22 ' A' ' 127' ' ' LEU . 46.8 mt -105.34 -47.34 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.204 -176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.617 ' HA2' ' HG2' ' A' ' 146' ' ' ARG . . . 121.99 -7.46 10.07 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.483 -178.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -159.48 155.3 26.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.55 174.42 54.91 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.71 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -71.7 128.4 14.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.091 2.527 . . . . 0.0 112.295 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 m -99.0 15.99 23.97 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.047 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 108' ' ' VAL . 42.0 t -141.56 136.11 30.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.828 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -64.18 -39.95 95.07 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.915 0.388 . . . . 0.0 110.318 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -59.81 -43.04 94.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.391 178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 6.7 tp10 -64.77 -35.21 80.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.923 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 104' ' ' SER . 95.2 t -60.86 -59.97 3.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 176.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.28 -32.07 69.69 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.151 0.5 . . . . 0.0 111.137 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -59.4 -59.77 4.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.185 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -79.03 -23.98 43.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.652 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -59.33 -42.97 92.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 0.0 109.999 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.2 m -64.11 -40.82 97.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.6 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.12 -50.01 81.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.907 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.76 -23.99 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.0 t -77.24 -37.09 53.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.029 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.4 m -91.94 -42.49 9.99 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.7 -23.57 20.58 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.771 -176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.9 -160.62 20.91 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.751 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 56.2 tp -64.95 -52.74 47.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.87 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.2 Cg_endo -52.07 -42.36 59.39 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 122.403 2.069 . . . . 0.0 112.609 -177.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.81 97.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.885 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.0 -39.76 87.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.956 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 120' ' ' LEU . 67.5 t -61.3 -51.13 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.797 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.41 -42.14 91.12 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.972 0.415 . . . . 0.0 110.836 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.96 98.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.673 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.56 HD22 HD11 ' A' ' 98' ' ' LEU . 94.0 mt -80.68 -48.97 11.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.712 -176.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.569 HG11 ' HB2' ' A' ' 68' ' ' ARG . 59.4 t -68.19 -44.25 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 111.715 -175.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -88.58 9.9 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.734 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -66.25 116.88 7.77 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 169.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.0 mm100 -67.67 -23.91 65.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.703 0.287 . . . . 0.0 110.912 -175.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.26 -52.92 59.85 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -68.01 -49.29 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.131 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -62.23 -43.52 98.64 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.747 -172.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -82.86 -38.65 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.536 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.53 -55.44 27.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.272 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -80.27 -38.37 31.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.095 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.8 165.14 19.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.177 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 0.2 OUTLIER -93.47 -17.51 23.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.115 0.483 . . . . 0.0 110.44 -178.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.58 -25.03 19.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.328 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.9 m -65.22 130.37 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.348 0.594 . . . . 0.0 112.41 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.569 HG21 HG13 ' A' ' 28' ' ' VAL . 92.1 t -93.42 137.7 23.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.122 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.751 ' HB3' ' HD2' ' A' ' 146' ' ' ARG . 3.3 Cg_endo -47.04 139.91 14.36 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.957 3.105 . . . . 0.0 113.719 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.67 -90.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.48 79.3 0.27 Allowed 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 121.301 0.572 . . . . 0.0 110.206 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.751 ' HD2' ' HB3' ' A' ' 143' ' ' PRO . 94.3 mtt180 -145.56 -33.55 0.35 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 108.996 177.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -113.38 87.71 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.69 -1.364 . . . . 0.0 109.69 166.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 pp -95.05 -17.24 22.05 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -168.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.96 129.79 17.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.845 0.715 . . . . 0.0 111.14 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -82.04 -63.75 1.32 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.558 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -161.94 159.74 26.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.542 -0.169 . . . . 0.0 110.542 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 51.81 43.91 29.72 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.404 0.621 . . . . 0.0 110.067 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -88.39 71.65 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.552 0.692 . . . . 0.0 112.834 -168.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -97.06 -31.91 12.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 164.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 55.6 t60 . . . . . 0 C--O 1.243 0.76 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.011 176.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo . . . . . 0 N--CA 1.48 0.733 0 N-CA-C 110.658 -0.555 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -108.06 123.1 48.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.8 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m 69.54 -55.47 0.58 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.327 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -83.49 104.74 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 0.0 110.494 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.7 -28.1 13.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.713 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 60.61 -102.51 0.13 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.936 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 55.08 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.272 0.629 . . . . 0.0 111.823 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.36 80.45 1.91 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.18 -1.02 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.926 -174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 63.72 87.56 0.11 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.417 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -88.72 -18.94 26.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.576 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -82.29 104.36 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.544 0.688 . . . . 0.0 110.074 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -122.41 174.0 7.3 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.989 -175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -68.32 110.89 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.827 0.346 . . . . 0.0 110.129 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -144.2 130.25 19.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.472 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.412 ' SD ' HG22 ' A' ' 56' ' ' VAL . 48.1 ttm -83.06 98.74 9.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.264 0.554 . . . . 0.0 110.321 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -135.53 143.2 44.11 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.009 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -58.32 117.37 4.07 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.67 2.247 . . . . 0.0 111.507 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.2 -17.29 2.94 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.503 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 88.0 mt -79.72 155.7 27.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 110.371 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.421 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . 19.0 m -81.73 170.01 16.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.326 -0.397 . . . . 0.0 109.944 174.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.06 97.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.084 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.05 -32.65 74.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 11.1 mm-40 -64.61 -49.57 70.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.122 0.487 . . . . 0.0 109.823 177.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' ' 29' ' ' ILE . 99.7 mttt -65.39 -35.92 82.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -58.75 -45.02 90.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.44 91.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.032 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.49 -49.74 83.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.992 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.2 mt -66.01 -40.42 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.71 -35.7 81.9 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.263 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.67 71.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.788 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.7 87.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.487 177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' CE2' HG22 ' A' ' 29' ' ' ILE . 54.9 m-85 -60.91 -44.95 96.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.207 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 34' ' ' ARG . 22.0 ttt180 -68.37 -22.0 64.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.185 -176.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -85.89 -45.01 11.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.765 0.317 . . . . 0.0 110.894 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mm -77.26 -46.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.415 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -86.19 -15.1 41.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.713 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 55.7 mt-10 62.95 25.62 15.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.485 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -157.01 161.78 39.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.684 0.278 . . . . 0.0 111.034 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.76 112.4 17.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.997 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.95 141.73 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.938 0.399 . . . . 0.0 111.611 -174.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 t -173.84 -53.01 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.959 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -63.53 106.3 0.92 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 61.92 29.5 17.84 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.058 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' HB3' HG13 ' A' ' 49' ' ' ILE . 24.7 m-85 -81.98 63.65 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 112.222 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m 56.79 -169.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.625 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -105.61 -26.44 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.074 174.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 m -63.69 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.877 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 45' ' ' TYR . 33.2 mm -59.54 -58.01 8.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.727 0.299 . . . . 0.0 111.082 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -68.41 -24.78 64.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.63 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 28.0 t80 -70.94 -41.93 70.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.257 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.31 -39.2 74.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.748 0.309 . . . . 0.0 110.289 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HG3' HG21 ' A' ' 29' ' ' ILE . 34.7 tt0 -54.47 -47.4 73.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.811 176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 p -69.55 -32.46 71.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.372 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.63 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 76.8 mt-30 -64.37 -47.45 79.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.959 0.409 . . . . 0.0 110.854 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG22 ' SD ' ' A' ' 16' ' ' MET . 8.5 p -74.01 -32.35 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.003 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -74.75 -27.74 60.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.028 176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -67.34 -25.73 66.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.286 174.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 11.04 61.21 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.844 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.85 -45.29 51.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.081 0.467 . . . . 0.0 110.563 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 38.1 pt -112.86 176.86 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.936 176.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.8 p -117.85 -178.77 3.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.0 mmm -63.54 -18.6 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.039 0.447 . . . . 0.0 110.261 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 148' ' ' LEU . 43.5 tptt -60.22 -59.57 5.2 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.545 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 18.2 mp0 -65.97 -40.0 90.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.095 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 27.5 t80 -56.62 -56.2 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.278 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.48 -47.07 95.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.64 -178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.525 ' HB3' HG11 ' A' ' 128' ' ' VAL . 10.8 ptt180 -68.27 -32.02 71.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.564 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -73.17 -34.3 65.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 110.897 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 90.9 mt -66.42 -48.6 69.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.67 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -71.13 -25.06 62.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.818 -177.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 121' ' ' PRO . 55.9 tttm -76.98 -17.99 58.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.8 m -61.53 139.1 95.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.479 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.45 -26.84 46.59 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.792 2.994 . . . . 0.0 113.297 -175.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.23 -45.24 92.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -76.4 -22.98 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.981 -178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.553 ' HA ' HD23 ' A' ' 120' ' ' LEU . 53.5 ttt-85 -80.79 -31.54 35.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.05 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -78.37 -38.24 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -87.38 -177.84 6.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 39.8 t80 68.4 -64.72 0.29 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HB2' HD22 ' A' ' 120' ' ' LEU . 86.5 t80 -79.44 -44.25 21.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -174.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 13.7 mm-40 -69.69 -49.32 21.44 Favored Pre-proline 0 CA--C 1.54 0.558 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -177.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 25.6 Cg_endo -63.4 -19.48 68.16 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.055 1.836 . . . . 0.0 112.772 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -112.45 -162.17 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.422 ' H ' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -119.86 167.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.507 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -55.52 -39.88 71.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.951 -174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.4 p -60.98 -52.74 63.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.451 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 53.7 mtt180 -70.05 -29.85 66.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.65 99.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.88 0.372 . . . . 0.0 110.17 176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -59.86 -46.17 90.13 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.566 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 92.4 mt -67.3 -37.34 83.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.683 0.278 . . . . 0.0 110.753 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.93 79.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.426 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -58.4 -34.9 71.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.901 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 25.2 tpt180 -73.34 -31.71 64.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.514 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -81.9 -45.22 15.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.617 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 HG13 ' A' ' 124' ' ' VAL . 64.9 mt -84.15 -74.33 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.896 -176.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.96 -26.76 63.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.941 0.4 . . . . 0.0 111.162 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 78.46 21.26 70.04 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.207 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 -137.34 -169.86 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.74 147.34 17.92 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.625 ' HB2' HG22 ' A' ' 108' ' ' VAL . 18.2 Cg_endo -59.65 112.21 1.19 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.389 2.06 . . . . 0.0 111.212 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -96.47 -22.04 17.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.857 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 108' ' ' VAL . 40.2 t -97.91 140.95 31.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.956 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' A' ' 105' ' ' ARG . 18.3 mmt180 -64.42 -40.36 95.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 110.367 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 46.1 mt-10 -59.76 -44.59 93.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.83 174.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 102' ' ' PRO . 41.9 tt0 -60.71 -44.97 95.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.415 -178.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.625 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.5 t -55.59 -57.95 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.939 0.399 . . . . 0.0 110.587 177.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -67.5 -26.27 66.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.774 -176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 9.0 tmtm? -63.7 -45.98 87.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 0.0 110.33 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.05 -23.91 21.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -60.1 -40.75 90.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.116 0.484 . . . . 0.0 110.14 176.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 p -70.61 -36.14 73.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 110' ' ' LYS . 71.1 mt -60.29 -50.68 79.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.0 110.966 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 123' ' ' LEU . 11.6 p -68.46 -27.53 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.466 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.5 m -81.44 -40.51 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.01 0.433 . . . . 0.0 110.99 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.4 t -73.85 -46.19 46.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.696 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -94.59 -70.67 1.1 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.057 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 154.72 -174.51 33.01 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 59.8 tp -62.18 -50.52 79.67 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.82 0.31 . . . . 0.0 111.482 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.722 ' HB3' ' HG3' ' A' ' 72' ' ' LYS . 52.0 Cg_exo -55.95 -39.62 90.08 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 121.929 1.753 . . . . 0.0 112.348 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.75 98.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.73 0.3 . . . . 0.0 110.957 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 115' ' ' VAL . 64.2 tp -61.49 -49.43 76.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.144 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.501 HG13 HD11 ' A' ' 97' ' ' ILE . 96.7 t -58.96 -45.97 91.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.522 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -51.08 -54.78 21.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HA ' ' OD2' ' A' ' 129' ' ' ASP . . . -63.77 -34.0 76.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.035 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.81 -31.27 64.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.638 0.256 . . . . 0.0 111.189 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 68' ' ' ARG . 79.9 t -78.88 -33.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.511 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 126' ' ' ALA . 1.7 p30 -90.93 -4.28 56.64 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.581 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.9 p -54.75 138.82 41.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 8.2 tp-100 -75.08 -16.66 60.55 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.524 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -61.06 -60.36 3.89 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.67 0.748 . . . . 0.0 109.44 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 2.5 t80 -62.84 -36.16 82.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.914 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 148' ' ' LEU . . . -68.09 -26.01 65.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.486 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.86 -20.42 33.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.667 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 1.0 OUTLIER -50.47 -65.39 0.57 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.794 -172.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.934 ' HB3' ' HB2' ' A' ' 146' ' ' ARG . 60.6 t80 -151.66 -41.88 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -174.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.857 ' HA2' HD12 ' A' ' 148' ' ' LEU . . . 154.52 174.58 24.71 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 119.055 -1.545 . . . . 0.0 113.81 -170.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -109.32 -4.94 16.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -32.77 16.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.933 0.397 . . . . 0.0 111.625 -170.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -77.02 159.05 30.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -173.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.552 HG13 ' HD2' ' A' ' 143' ' ' PRO . 37.6 t -72.48 141.32 82.78 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.552 ' HD2' HG13 ' A' ' 142' ' ' VAL . 78.2 Cg_exo -50.99 90.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.158 2.572 . . . . 0.0 114.567 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -112.67 36.65 3.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 165.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.427 ' CD2' ' HA3' ' A' ' 99' ' ' GLY . 24.0 mt 72.5 83.61 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 113.367 -1.742 . . . . 0.0 110.182 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.934 ' HB2' ' HB3' ' A' ' 137' ' ' PHE . 0.5 OUTLIER -168.26 161.72 12.34 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.226 -177.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.54 45.51 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 119.351 -1.404 . . . . 0.0 113.139 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.857 HD12 ' HA2' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -171.44 163.81 6.89 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.396 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.99 174.91 7.28 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 166.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -77.53 -27.95 51.83 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -164.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 55.96 -155.91 0.28 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 155' ' ' HIS . 7.7 p-80 -76.65 78.99 3.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.775 0.797 . . . . 0.0 109.531 170.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -83.85 -10.31 58.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.442 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -128.47 34.01 4.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.65 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.455 ' O ' ' HB2' ' A' ' 152' ' ' HIS . 58.4 m80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.906 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo . . . . . 0 N--CA 1.48 0.695 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -85.49 80.88 8.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.366 0.603 . . . . 0.0 111.062 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 m -106.53 0.87 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.37 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -82.39 98.77 9.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.826 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -155.65 127.87 7.67 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.373 0.606 . . . . 0.0 110.969 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -115.76 157.38 24.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 172.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 96.2 0.38 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.389 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.09 -24.78 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.066 0.46 . . . . 0.0 110.904 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.02 -7.8 50.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.512 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.2 mttp 66.92 93.8 0.07 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.548 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.616 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 1.9 mmp_? -124.89 135.86 53.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.294 -174.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -160.74 -171.43 3.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.227 177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm 59.43 86.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.616 0.572 . . . . 0.0 111.867 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -85.15 102.82 13.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.863 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -113.33 133.59 55.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.72 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.432 ' HG3' HD11 ' A' ' 20' ' ' LEU . 41.5 ttm -82.03 94.16 7.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.316 0.579 . . . . 0.0 109.866 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 72.8 mttt -72.03 153.94 92.59 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.295 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.6 100.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.637 2.225 . . . . 0.0 112.232 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.79 34.24 53.68 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.405 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.68 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -71.46 156.11 39.83 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 178.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.51 160.43 19.42 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -169.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.33 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.564 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.25 -47.13 87.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.938 0.399 . . . . 0.0 110.808 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.6 mp0 -61.31 -46.56 89.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.557 176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 35.3 ttmt -62.53 -40.12 95.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.404 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.27 -48.57 81.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.956 175.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.9 99.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.521 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.1 t -62.42 -50.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.363 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.7 mt -67.79 -37.5 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.985 0.422 . . . . 0.0 110.75 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.64 -45.3 94.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.226 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.38 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.594 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.31 -47.88 82.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.192 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.531 ' CZ ' HG23 ' A' ' 49' ' ' ILE . 43.9 m-85 -70.31 -23.44 62.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 40.7 ttp180 -83.27 -16.77 45.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.156 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.75 -44.85 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.424 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.473 HD11 HG13 ' A' ' 67' ' ' VAL . 49.8 mm -76.53 -60.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.432 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.82 4.2 31.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.072 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 38.0 mt-10 56.96 33.38 23.19 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.642 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.9 tpt180 70.21 10.42 7.32 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.618 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.76 53.47 2.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.057 0.456 . . . . 0.0 110.999 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.601 ' HA ' ' HE2' ' A' ' 45' ' ' TYR . 44.1 pt -114.33 131.4 66.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.0 t 177.59 -173.88 0.13 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.207 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt 67.85 -88.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.636 0.774 . . . . 0.0 112.331 172.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.61 -11.71 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -170.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.601 ' HE2' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -112.57 118.15 34.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.057 0.456 . . . . 0.0 111.05 -179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -161.27 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.977 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -67.97 -47.92 67.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -60.82 -36.37 78.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.759 0.79 . . . . 0.0 110.445 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.531 HG23 ' CZ ' ' A' ' 33' ' ' TYR . 75.4 mt -67.44 -47.3 81.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.24 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.3 p -69.09 -31.66 70.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.823 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.31 -52.5 61.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.228 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.83 -38.19 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.356 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.78 -50.44 72.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.197 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 m -61.3 -38.33 86.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.191 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -69.99 -42.82 72.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -71.66 -31.55 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.332 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.84 -32.3 73.48 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.628 175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.48 -19.31 60.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.23 11.37 75.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.544 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.67 -45.6 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.112 0.482 . . . . 0.0 110.35 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.1 pt -119.95 140.36 44.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.282 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.1 p -74.92 173.02 11.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpt -68.26 -30.64 69.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.7 ' HE2' ' HA ' ' A' ' 129' ' ' ASP . 79.2 tttt -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.956 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' CD ' HH21 ' A' ' 68' ' ' ARG . 28.3 tp10 -64.69 -42.71 95.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.06 -53.01 63.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.332 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.473 HG13 HD11 ' A' ' 36' ' ' ILE . 56.3 t -60.11 -42.9 91.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 27.0 ttp180 -61.24 -42.15 98.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.624 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -65.42 -36.11 82.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.045 -176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.58 -54.81 16.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.24 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.407 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -74.12 -18.79 60.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.158 -174.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 12.6 tmtt? -79.13 -22.32 45.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -71.36 154.96 93.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.703 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 11.4 Cg_endo -54.61 -26.47 46.26 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.741 2.961 . . . . 0.0 114.051 -176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.15 -53.76 53.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -68.0 -32.96 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.618 0.723 . . . . 0.0 109.469 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.573 ' HA ' HD23 ' A' ' 120' ' ' LEU . 30.0 ttm180 -66.09 -42.34 89.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.664 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 82' ' ' GLU . 97.1 mttt -76.42 -11.4 59.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.722 0.296 . . . . 0.0 111.138 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.65 -44.08 10.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.944 0.402 . . . . 0.0 111.046 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -115.09 48.19 1.19 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.705 -173.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -165.73 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.456 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.606 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 33.6 mm-40 -77.85 -59.26 0.81 Allowed Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.757 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 58.9 Cg_endo -77.93 -53.79 0.06 OUTLIER 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.42 1.413 . . . . 0.0 111.769 176.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.3 131.86 35.23 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.7 pt -83.07 170.57 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.923 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 8.5 p30 -52.17 -32.64 36.85 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.274 -177.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 m -52.67 -50.51 63.11 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 122.664 0.386 . . . . 0.0 111.624 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -91.11 -27.67 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.73 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -56.89 -42.88 80.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.753 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.69 -46.17 83.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -54.28 -52.38 61.6 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.555 176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.19 -37.59 83.94 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.293 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.75 -51.88 66.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.617 0.246 . . . . 0.0 111.396 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HD1' HD12 ' A' ' 98' ' ' LEU . 25.7 m-85 -56.72 -39.55 74.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.101 0.476 . . . . 0.0 111.424 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.1 ttm-85 -81.27 -39.09 25.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.676 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -76.55 -33.75 58.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.208 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 85.5 mt -95.24 -60.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.662 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.675 HD11 HD22 ' A' ' 127' ' ' LEU . 73.2 mt -78.18 -18.22 55.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.435 -173.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.42 21.39 76.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.808 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -117.29 -56.58 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.529 . . . . 0.0 111.133 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.1 172.68 37.23 Favored Glycine 0 N--CA 1.442 -0.94 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 16.1 Cg_exo -68.2 88.93 0.39 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.45 2.1 . . . . 0.0 111.441 176.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -75.16 -39.57 60.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.456 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.631 ' HB2' ' OE1' ' A' ' 106' ' ' GLU . 13.6 p -128.36 149.02 50.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.746 -176.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.426 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 6.5 tpt180 -65.87 -34.22 77.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.703 0.287 . . . . 0.0 110.992 -177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 4.3 pm0 -67.58 -37.88 83.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -66.24 -36.2 82.41 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 102' ' ' PRO . 86.8 t -56.72 -57.93 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.427 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -61.0 -38.47 86.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.869 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -53.61 -48.2 69.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.854 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -94.8 -23.33 17.55 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -61.86 -37.52 84.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.112 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -62.79 -34.04 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.258 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.82 -46.85 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -71.02 -18.83 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.133 0.492 . . . . 0.0 110.743 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.1 t -82.25 -28.39 31.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.4 p -100.5 -49.2 4.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.21 -4.47 56.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.916 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.26 -170.95 51.41 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.642 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.604 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 31.9 tp -63.73 -46.4 82.44 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 6.7 Cg_endo -49.55 -45.89 29.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.452 2.102 . . . . 0.0 113.01 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.4 88.35 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.435 HD22 ' HB ' ' A' ' 115' ' ' VAL . 63.2 tp -62.86 -50.37 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.472 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.48 -47.31 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.402 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 19.6 t70 -56.45 -48.18 77.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.782 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 130' ' ' SER . . . -59.61 -39.85 85.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.391 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.675 HD22 HD11 ' A' ' 98' ' ' LEU . 94.2 mt -72.22 -49.31 36.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.575 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 43.2 t -76.82 -41.78 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -173.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.7 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.2 t70 -81.12 -6.37 58.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 0.0 111.159 -173.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 126' ' ' ALA . 95.5 p -62.8 142.22 58.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.452 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 17.7 mm100 -80.61 -20.35 43.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.876 -178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.02 -55.2 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 173.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.43 ' O ' ' HD1' ' A' ' 137' ' ' PHE . 54.6 t80 -66.73 -41.26 88.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.188 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.471 ' HA ' ' HE1' ' A' ' 137' ' ' PHE . . . -57.19 -41.14 78.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.375 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.84 -32.06 72.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.104 0.478 . . . . 0.0 110.492 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -65.48 -56.56 11.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.278 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.504 ' HD1' ' H ' ' A' ' 137' ' ' PHE . 0.3 OUTLIER -102.24 -26.86 13.17 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.305 -172.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.35 151.1 27.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.91 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 pm0 -74.52 -9.19 58.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.833 0.316 . . . . 0.0 111.519 -173.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -97.01 -13.44 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.62 -176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 18.9 m -93.35 148.66 21.86 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -170.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.0 t -87.16 130.24 48.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.857 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.0 134.5 55.96 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.37 2.713 . . . . 0.0 112.871 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -151.85 163.2 39.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.022 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.64 145.88 31.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.027 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 146' ' ' ARG . 24.0 ttt85 -87.15 129.76 34.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -54.06 131.09 44.69 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.543 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.1 mt -88.04 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 152' ' ' HIS . 35.9 mt-10 51.56 53.55 12.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.268 0.556 . . . . 0.0 110.572 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -58.28 115.72 3.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.354 -176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 55.2 t60 70.98 20.06 5.43 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.157 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 149' ' ' GLU . 14.9 t-80 -82.73 94.45 7.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.3 -68.64 0.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.829 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -156.33 82.63 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.951 0.405 . . . . 0.0 110.743 -175.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.288 176.151 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.477 0.553 0 N-CA-C 110.517 -0.609 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.448 HE21 ' HB3' ' A' ' 2' ' ' GLN . 12.1 mt-30 61.41 41.92 12.24 Favored 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.493 0.496 . . . . 0.0 111.196 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -76.99 -14.55 59.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -95.17 -130.46 0.15 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.901 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 62.77 36.79 12.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.829 0.823 . . . . 0.0 109.044 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.802 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 83.8 m-20 -109.2 123.38 49.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.285 -170.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.651 ' H ' ' HD3' ' A' ' 64' ' ' LYS . . . -141.29 -171.71 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.046 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.89 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -145.65 -157.57 0.81 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 119.69 -0.195 . . . . 0.0 110.664 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 97' ' ' ILE . . . -137.19 86.34 2.19 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' H ' ' HB2' ' A' ' 143' ' ' PRO . 15.6 mtmm 69.2 146.74 0.06 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 166.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' HB3' ' CG1' ' A' ' 142' ' ' VAL . 7.0 tpt180 158.82 -82.32 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 113.802 -1.544 . . . . 0.0 109.461 165.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.771 HE21 ' HA ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 175.04 164.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 -175.162 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -69.44 80.74 0.39 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.918 0.866 . . . . 0.0 112.368 -175.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.3 m-85 -111.12 141.75 44.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 169.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -123.47 141.81 51.63 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.805 -173.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.482 ' SD ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -89.4 43.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.967 172.104 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HE2' HD21 ' A' ' 20' ' ' LEU . 24.0 pttm -88.87 156.02 49.83 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.82 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.3 151.46 83.32 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.927 2.418 . . . . 0.0 111.836 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.57 45.3 6.51 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.106 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' HG2' ' A' ' 24' ' ' GLU . 84.5 mt -126.72 157.88 37.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.811 0.339 . . . . 0.0 110.5 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.5 m -80.96 162.85 23.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.172 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.49 86.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 111.277 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.68 -32.88 74.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.754 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.575 ' HG2' HD22 ' A' ' 20' ' ' LEU . 13.8 tp10 -67.59 -48.77 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.882 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' HE2' ' HB2' ' A' ' 20' ' ' LEU . 71.7 mmtt -57.24 -42.63 81.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.393 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -63.27 -44.87 93.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.901 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.94 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.282 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.574 HG22 ' HB3' ' A' ' 14' ' ' TYR . 51.7 t -61.67 -49.76 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.094 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 66.4 mt -65.0 -43.39 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.29 -43.92 97.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.678 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB1' ' HG2' ' A' ' 11' ' ' ARG . . . -62.83 -41.34 99.29 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.76 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -60.55 -51.48 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.985 179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -56.53 -35.81 68.52 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 63.7 ttt180 -74.65 -26.67 60.02 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.206 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -91.05 -6.48 53.8 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.772 -0.58 . . . . 0.0 111.553 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 32' ' ' ALA . 51.0 mm -90.27 -58.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 175.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.688 ' HE1' ' HB2' ' A' ' 76' ' ' TYR . 33.9 m-85 -121.31 6.14 10.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.518 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 15.6 tp10 72.18 6.42 5.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 121.919 0.866 . . . . 0.0 108.715 -167.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? 56.89 -90.42 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.741 -173.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t70 66.51 -47.23 0.44 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.648 0.779 . . . . 0.0 112.639 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.1 pt -52.31 153.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 123.335 0.654 . . . . 0.0 111.347 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -76.63 160.72 29.15 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.604 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -80.82 31.29 0.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.928 -171.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.76 9.31 3.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.145 0.497 . . . . 0.0 110.006 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.6 103.75 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.498 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.3 m 66.37 124.48 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.728 0.775 . . . . 0.0 112.409 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -61.67 -28.86 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.365 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 m -60.06 -37.03 78.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.8 mm -66.9 -39.86 84.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.338 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.9 t -70.38 -33.11 71.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.87 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.623 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.9 t80 -67.86 -51.42 48.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.406 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -60.67 -38.25 84.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 39.2 tt0 -57.84 -42.53 84.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.995 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -79.01 -33.32 45.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.42 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 18.2 mm100 -59.52 -50.12 75.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.642 0.258 . . . . 0.0 110.906 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.8 p -71.28 -32.84 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 110.452 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -60.08 -40.68 90.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.969 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -84.54 -1.77 56.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.154 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.04 27.97 63.32 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.435 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -77.89 -39.66 42.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.266 0.555 . . . . 0.0 109.861 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -122.39 144.78 30.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.9 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 t -75.82 160.86 29.53 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 49.6 tpp -56.23 -27.36 54.63 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 110.275 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.802 ' HD3' ' HA ' ' A' ' 6' ' ' ASN . 21.3 tptm -50.23 -59.62 3.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.874 172.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -71.03 -28.01 64.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.587 -174.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.0 t80 -64.96 -62.01 1.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.016 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.89 HG21 ' HB1' ' A' ' 8' ' ' ALA . 53.3 t -57.55 -42.16 80.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.255 0.55 . . . . 0.0 110.6 177.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 75.7 ttt180 -54.77 -56.7 16.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.376 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -71.6 -24.48 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.672 -175.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 87.8 mt -69.64 -46.05 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 110.221 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -10.0 59.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.509 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -102.83 16.08 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.984 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.2 p -77.61 147.5 75.04 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.597 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.73 -34.13 95.5 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.696 2.264 . . . . 0.0 112.204 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.9 tp -61.38 -53.55 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 177.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.688 ' HB2' ' HE1' ' A' ' 37' ' ' PHE . 87.7 t80 -67.52 -33.73 75.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.693 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HA ' HD23 ' A' ' 120' ' ' LEU . 59.9 ttp180 -60.55 -39.98 89.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -72.3 -35.32 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.813 175.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 83.9 mm-40 -69.96 133.36 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.489 -178.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.425 ' C ' ' HD2' ' A' ' 83' ' ' PRO . 72.0 m-85 72.74 -41.84 0.52 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.539 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.554 ' HB2' HD22 ' A' ' 120' ' ' LEU . 76.2 t80 -65.35 -27.71 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.826 0.346 . . . . 0.0 111.638 -177.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.578 ' HB2' ' HD3' ' A' ' 83' ' ' PRO . 5.9 mm-40 -83.12 -53.14 0.6 Allowed Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.578 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 35.5 Cg_exo -63.03 -31.79 76.22 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 122.09 1.86 . . . . 0.0 112.83 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -120.4 130.36 54.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 pt -73.62 176.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.653 0.263 . . . . 0.0 110.995 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -54.04 -35.93 62.51 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t -61.91 -38.16 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.957 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -91.09 -35.32 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.61 70.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 tp -58.1 -58.79 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.385 175.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.19 -38.01 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.54 -45.12 94.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.188 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.92 -38.86 92.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.512 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 14.1 m-85 -58.34 -40.24 81.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.363 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.422 ' O ' ' HD3' ' A' ' 10' ' ' LYS . 64.8 ttt180 -83.64 -27.85 28.83 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.804 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -77.59 -27.85 51.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.815 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.495 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . 72.8 mt -102.86 -69.32 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.686 0.279 . . . . 0.0 111.248 178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD11 HD22 ' A' ' 127' ' ' LEU . 62.2 mt -69.34 -41.05 77.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.53 17.71 11.0 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.686 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -145.43 -84.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.744 0.772 . . . . 0.0 111.721 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 155.85 172.32 23.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.073 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.58 155.59 40.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.789 2.326 . . . . 0.0 112.086 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.8 p -90.14 -62.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.568 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -133.58 174.7 10.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -171.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 105' ' ' ARG . 49.2 mtt180 -54.79 -47.73 73.6 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.514 0.509 . . . . 0.0 112.365 -171.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -58.91 -46.06 88.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.315 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.3 -37.85 84.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.945 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 104' ' ' SER . 97.0 t -62.7 -58.4 7.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.265 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 112' ' ' PHE . 2.5 mp0 -61.92 -28.66 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -57.63 -57.14 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.757 176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -79.58 -23.48 42.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.4 ' HB3' ' HA ' ' A' ' 109' ' ' GLN . 89.1 t80 -61.6 -34.59 75.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.157 0.503 . . . . 0.0 109.867 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 m -65.45 -34.24 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.375 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.29 -46.14 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.64 -21.18 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.749 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.4 t -82.22 -47.65 12.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.019 0.438 . . . . 0.0 110.142 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 40.6 t -69.67 -55.8 8.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.449 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -93.19 -41.18 4.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.599 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.86 -172.58 15.17 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.741 -0.743 . . . . 0.0 111.826 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.9 tp -59.17 -51.09 84.12 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.814 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 37.2 Cg_exo -58.91 -33.0 98.45 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.731 1.621 . . . . 0.0 112.503 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.75 -37.21 79.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.939 0.399 . . . . 0.0 110.324 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.9 tp -66.78 -38.21 86.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.818 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.66 -51.7 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.438 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.35 -42.31 81.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.705 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.33 77.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.493 HD12 HD12 ' A' ' 97' ' ' ILE . 96.0 mt -87.66 -36.41 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 64' ' ' LYS . 58.2 t -80.46 -27.68 11.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.897 0.379 . . . . 0.0 111.238 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -98.51 13.87 30.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.429 0.633 . . . . 0.0 110.371 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -71.32 137.5 48.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.58 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -70.52 -49.71 45.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.728 -175.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.34 -39.76 91.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.37 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -70.15 -39.36 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.24 95.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.068 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -66.08 -29.73 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.951 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -83.01 -55.78 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.529 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.91 -42.42 9.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 102.45 171.17 26.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.518 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 6' ' ' ASN . 10.4 pt-20 -96.52 -37.94 10.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.515 0.197 . . . . 0.0 111.482 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.638 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 52.3 mt-10 -70.82 -33.78 71.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 110.315 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 90.9 m -88.8 122.24 32.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.428 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 11' ' ' ARG . 25.6 t -63.72 128.4 92.73 Favored Pre-proline 0 N--CA 1.449 -0.498 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 8' ' ' ALA . 39.6 Cg_exo -59.66 165.05 10.38 Favored 'Trans proline' 0 CA--C 1.522 -0.124 0 C-N-CA 123.533 2.822 . . . . 0.0 112.889 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 146' ' ' ARG . 28.9 p90 -146.96 166.53 26.5 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.042 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.31 88.33 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.427 ' HB3' ' CE1' ' A' ' 144' ' ' TYR . 19.5 tpp180 -179.89 133.22 0.1 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.749 -177.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 149' ' ' GLU . . . 91.64 -151.52 20.95 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.107 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 148' ' ' LEU . 2.3 tm? 72.74 -20.03 0.29 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.419 0.688 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 147' ' ' GLY . 2.9 pt-20 -51.3 -91.91 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 124.01 0.924 . . . . 0.0 112.185 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.443 ' H ' ' HG3' ' A' ' 149' ' ' GLU . 73.2 t60 70.21 -38.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 112.403 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 79.7 t60 67.08 96.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 123.238 0.615 . . . . 0.0 110.856 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -76.93 99.0 5.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -113.23 -173.69 2.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.342 -174.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -58.17 122.9 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.982 0.42 . . . . 0.0 110.584 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 . . . . . 0 C--O 1.243 0.716 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.52 -179.218 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 N--CA 1.477 0.557 0 N-CA-C 110.553 -0.595 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -86.71 71.72 10.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.328 0.585 . . . . 0.0 110.367 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -165.38 102.82 0.73 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.05 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -107.2 102.18 11.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.857 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -78.02 -17.29 57.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.752 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -100.87 147.8 25.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.444 -0.798 . . . . 0.0 108.874 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.07 162.47 32.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.962 0.411 . . . . 0.0 111.991 -175.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.66 165.84 31.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.419 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.17 63.32 4.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 10' ' ' LYS . 40.3 tptt 64.11 16.69 10.17 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.329 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 70.34 121.18 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.883 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.15 157.38 34.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.979 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -73.31 156.94 37.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.083 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -86.3 113.78 22.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.319 0.58 . . . . 0.0 110.128 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' CB ' ' HA ' ' A' ' 141' ' ' THR . . . -147.71 141.88 26.12 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.899 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.552 ' SD ' HG22 ' A' ' 56' ' ' VAL . 46.5 ttm -103.32 106.36 16.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.245 0.545 . . . . 0.0 109.747 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -126.96 156.9 73.43 Favored Pre-proline 0 C--N 1.316 -0.869 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.591 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.36 108.61 0.53 Allowed 'Trans proline' 0 C--O 1.236 0.411 0 C-N-CA 122.262 1.974 . . . . 0.0 111.523 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.46 38.01 0.43 Allowed Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.131 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -117.45 168.62 10.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.965 0.412 . . . . 0.0 110.704 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.601 ' HB2' ' OE1' ' A' ' 24' ' ' GLU . 20.3 m -103.08 -177.09 3.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.438 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.17 -55.23 23.24 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -35.24 79.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE1' ' HB2' ' A' ' 21' ' ' SER . 2.1 mp0 -58.87 -50.25 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.872 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' ILE . 82.1 mttt -61.99 -46.79 87.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.721 176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -61.52 -40.16 93.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.213 -175.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.09 95.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' GLU . 96.3 t -65.21 -40.49 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.777 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.433 HG22 ' CE2' ' A' ' 33' ' ' TYR . 67.7 mt -64.54 -45.72 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.446 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -59.36 -46.15 89.45 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 121.131 0.491 . . . . 0.0 110.567 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.18 -45.94 89.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.29 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.63 74.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.433 ' CE2' HG22 ' A' ' 29' ' ' ILE . 28.7 m-85 -55.11 -60.43 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.268 178.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.97 -22.6 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.88 -173.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' NE2' ' HB3' ' A' ' 144' ' ' TYR . 44.2 tt0 -80.31 -43.85 20.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.242 -0.287 . . . . 0.0 111.204 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.41 -48.12 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.662 ' HA ' ' HE1' ' A' ' 76' ' ' TYR . 82.6 m-85 -84.49 -5.24 59.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.576 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HG3' ' HZ ' ' A' ' 80' ' ' PHE . 28.7 mm-40 64.74 12.65 7.81 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.039 0.447 . . . . 0.0 111.457 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 41' ' ' ILE . 67.1 ttt180 -174.86 160.71 2.93 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -171.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -78.24 32.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.363 0.601 . . . . 0.0 110.376 175.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.666 HG21 HD21 ' A' ' 75' ' ' LEU . 1.2 mt 48.62 -143.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.544 -179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.3 p -110.06 140.22 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.651 0.262 . . . . 0.0 111.432 -172.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -71.93 78.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 176.63 -45.83 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.313 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.606 ' HE1' ' HB ' ' A' ' 41' ' ' ILE . 31.9 m-85 53.49 -161.61 0.12 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.057 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.406 ' HB3' HG12 ' A' ' 49' ' ' ILE . 39.3 t -140.17 150.14 43.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.5 -30.4 71.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.0 110.815 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 24.5 m -63.85 -28.82 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.986 177.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 46' ' ' SER . 49.6 mm -73.15 -46.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.4 t -61.57 -34.45 75.61 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.599 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 71.2 t80 -59.45 -55.18 37.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.224 175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.8 mt -58.37 -43.53 88.47 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.98 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 29' ' ' ILE . 26.6 tt0 -53.58 -51.09 64.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.344 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 -39.01 83.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.764 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 25.5 mm-40 -63.64 -55.51 23.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG22 ' SD ' ' A' ' 16' ' ' MET . 7.2 p -66.97 -33.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.857 0.36 . . . . 0.0 110.604 -176.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -59.02 -47.81 83.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.064 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -82.47 -6.74 59.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.94 31.31 23.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.526 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.91 -41.22 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.28 0.562 . . . . 0.0 109.75 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.8 pt -122.32 161.34 23.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.08 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 t -81.2 160.51 24.3 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.266 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.8 tpt -65.23 -37.5 87.45 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.948 0.404 . . . . 0.0 110.496 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' HB2' ' HA ' ' A' ' 139' ' ' GLU . 13.0 tmtt? -59.13 -37.89 78.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.426 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -73.55 -34.32 65.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 24.1 t80 -60.88 -47.39 86.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.77 -48.47 88.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.992 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HB2' HG11 ' A' ' 128' ' ' VAL . 1.5 ttm-85 -59.88 -42.84 94.64 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -70.97 -41.07 71.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.769 -175.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD13 ' HE1' ' A' ' 37' ' ' PHE . 71.5 mt -60.62 -49.16 78.63 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.737 0.303 . . . . 0.0 111.323 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.27 63.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.47 -176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -88.27 -9.6 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.107 0.48 . . . . 0.0 110.412 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.3 m -70.56 144.95 92.09 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.26 -30.28 71.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.149 2.566 . . . . 0.0 112.17 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD21 HG21 ' A' ' 41' ' ' ILE . 32.2 tp -55.2 -53.46 55.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.018 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HE1' ' HA ' ' A' ' 37' ' ' PHE . 32.0 t80 -71.09 -34.57 71.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.991 0.424 . . . . 0.0 110.635 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.79 ' HG2' HD23 ' A' ' 120' ' ' LEU . 43.9 mtp180 -69.64 -25.97 64.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.181 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HE3' ' OE2' ' A' ' 82' ' ' GLU . 9.8 mmmm -77.15 -11.61 59.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -104.83 -61.0 1.52 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.699 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.495 ' HZ ' ' HG3' ' A' ' 38' ' ' GLU . 12.2 m-85 -95.8 62.73 2.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.641 -175.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' HB2' HD22 ' A' ' 120' ' ' LEU . 73.0 t80 -178.49 -64.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.853 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 19.5 tt0 -67.45 -48.65 44.68 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -172.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 6.7 Cg_exo -76.23 10.19 2.2 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.258 1.972 . . . . 0.0 112.595 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -130.17 176.17 8.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 88' ' ' ARG . 32.4 pt -89.65 149.97 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.54 -39.61 77.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.27 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 t -58.63 -39.57 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.289 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 25.5 ttt180 -87.1 -32.07 20.11 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.797 -177.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.16 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.117 0.484 . . . . 0.0 109.914 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.583 HD12 HD21 ' A' ' 123' ' ' LEU . 30.6 tp -56.92 -48.43 78.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.961 174.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 95' ' ' ARG . 33.2 tt0 -64.17 -40.68 96.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.559 -177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.8 mt -61.39 -37.78 84.66 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.124 0.488 . . . . 0.0 110.871 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.03 83.75 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.427 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.585 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 34.9 m-85 -57.54 -39.92 77.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.533 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 91' ' ' GLU . 90.2 mtt180 -58.89 -50.07 75.38 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -84.28 -36.43 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -171.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.7 mt -83.78 -49.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.8 mt -111.0 -8.16 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 60.52 43.87 98.36 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.292 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.585 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 27.7 ttt-85 -159.29 114.91 2.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.461 -0.199 . . . . 0.0 110.461 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.61 143.64 30.53 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.551 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.501 ' HB2' HG22 ' A' ' 108' ' ' VAL . 56.4 Cg_endo -72.11 99.36 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.58 2.186 . . . . 0.0 112.433 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.2 m -82.48 -33.61 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.989 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.3 m -84.88 131.12 34.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -63.59 -36.3 83.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.687 0.28 . . . . 0.0 110.649 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.53 -35.35 79.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.313 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.29 -44.36 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.615 176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 102' ' ' PRO . 71.7 t -58.81 -53.69 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.13 -30.69 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.446 -177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.17 -58.28 9.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.049 0.452 . . . . 0.0 110.5 176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 95.7 m-85 -74.15 -23.94 59.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.479 ' HA ' HG12 ' A' ' 115' ' ' VAL . 90.2 t80 -61.15 -36.48 79.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.5 . . . . 0.0 109.833 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -68.0 -29.89 69.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.474 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.83 -46.72 34.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.615 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 112' ' ' PHE . 11.0 p -70.93 -22.54 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.569 -176.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 p -85.16 -53.9 4.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.312 . . . . 0.0 111.267 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.6 m -75.82 -46.84 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.555 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -86.24 -47.94 4.76 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.76 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 122.57 173.97 14.34 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.79 HD23 ' HG2' ' A' ' 77' ' ' ARG . 46.4 tp -63.09 -46.31 86.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.486 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.9 Cg_endo -52.95 -37.82 78.68 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.096 1.864 . . . . 0.0 112.229 176.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.84 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.575 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.583 HD21 HD12 ' A' ' 90' ' ' LEU . 41.9 tp -58.92 -54.21 49.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.752 177.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.41 -42.92 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.894 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.55 -41.91 99.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.566 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.63 84.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.187 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 123' ' ' LEU . 91.8 mt -69.1 -52.01 32.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 -178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.441 HG11 ' HB2' ' A' ' 68' ' ' ARG . 46.6 t -69.63 -36.31 70.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.808 0.337 . . . . 0.0 111.567 -175.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -100.17 31.2 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.313 0.577 . . . . 0.0 110.906 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 133' ' ' TYR . 24.3 p -76.2 139.52 41.25 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -58.02 -45.72 86.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.893 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.71 -45.87 81.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.64 -177.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.425 ' HB3' ' OG ' ' A' ' 130' ' ' SER . 70.5 t80 -64.79 -46.07 83.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.045 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.0 -49.08 69.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.693 -177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.23 -30.71 54.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -72.2 -48.97 39.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.165 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -88.56 -40.81 13.11 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.863 -169.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.04 -168.51 23.46 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.65 -176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 pt-20 -117.72 -1.19 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 141' ' ' THR . 6.0 pt-20 -93.03 -45.22 8.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.442 ' N ' ' HG3' ' A' ' 140' ' ' GLU . 4.1 m -79.19 155.56 28.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -168.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 17.2 t -95.2 122.55 59.52 Favored Pre-proline 0 CA--C 1.53 0.211 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.09 142.4 50.77 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.66 2.24 . . . . 0.0 113.569 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.514 ' HB3' ' NE2' ' A' ' 35' ' ' GLN . 15.1 p90 -156.38 -169.36 3.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.904 175.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.07 -20.76 64.34 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -132.86 -173.98 3.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 176.27 -95.81 0.1 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.1 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.98 117.94 5.49 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.76 103.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -124.29 94.63 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -76.98 149.18 35.95 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 166.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -72.14 106.07 4.21 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.041 0.448 . . . . 0.0 110.587 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -79.82 121.7 25.71 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -45.2 -58.34 3.32 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.759 0.662 . . . . 0.0 110.711 -174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.737 171.696 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.474 0.38 0 N-CA-C 110.617 -0.57 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.7 -9.03 48.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.14 0.495 . . . . 0.0 110.941 -178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.568 ' HB3' ' HA ' ' A' ' 6' ' ' ASN . 13.8 t -147.07 155.12 41.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.703 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -68.42 -30.96 69.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.429 0.633 . . . . 0.0 109.557 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -84.35 -43.97 14.22 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.568 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 9.3 t30 71.48 -48.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.348 -1.297 . . . . 0.0 111.19 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.62 100.09 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 171.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.18 79.29 2.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.845 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.3 -176.68 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.462 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.33 117.13 28.82 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -71.93 75.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.581 0.705 . . . . 0.0 111.459 -177.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.78 114.16 5.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.203 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HA ' ' OH ' ' A' ' 144' ' ' TYR . 30.4 mtpp -144.14 163.07 34.65 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.705 -177.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 144' ' ' TYR . 59.2 m-85 -70.9 99.07 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.207 0.527 . . . . 0.0 110.15 174.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.48 125.13 26.78 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.344 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.5 ttm -80.38 94.79 6.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.399 0.618 . . . . 0.0 110.705 -175.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 62.6 mttm -95.9 145.91 30.38 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.15 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 30.6 Cg_exo -61.14 112.07 1.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.614 2.209 . . . . 0.0 110.926 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.88 7.71 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.309 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 mt -68.84 146.95 52.41 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.586 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 4.2 m -63.57 150.72 43.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.119 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.83 -36.59 72.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 0.0 110.503 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.68 -35.75 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.596 177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 49.7 mt-10 -71.92 -41.23 68.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.007 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 29' ' ' ILE . 93.7 mttt -58.15 -44.39 87.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.401 175.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -59.46 -42.0 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.245 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.5 85.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.175 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 24' ' ' GLU . 86.2 t -57.68 -45.35 86.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.009 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.589 HD13 ' HG3' ' A' ' 53' ' ' GLU . 74.3 mt -65.69 -44.62 93.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 33' ' ' TYR . 38.4 ttpt -68.68 -33.81 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.728 0.299 . . . . 0.0 110.592 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.28 84.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.446 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.28 82.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.201 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 29.0 m-85 -54.74 -53.43 55.1 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 48.9 mtm180 -70.25 -22.41 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.591 -173.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.512 ' HG2' ' HB2' ' A' ' 144' ' ' TYR . 63.1 tp60 -89.18 -42.61 11.56 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.258 -178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.65 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 mm -75.68 -48.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.632 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -82.67 -29.15 30.17 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.753 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.1 mt-10 55.47 29.47 13.35 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.992 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -164.58 177.44 8.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.872 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -94.28 147.91 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -91.23 159.14 2.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.97 0.414 . . . . 0.0 111.727 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.45 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m -53.57 115.17 1.82 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.997 -170.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 49.58 -95.94 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.864 0.865 . . . . 0.0 112.865 173.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.83 47.18 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.515 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CE1' ' HB ' ' A' ' 42' ' ' THR . 1.6 m-30 -53.96 112.62 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.3 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.435 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 17.9 t -162.87 -151.01 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 47' ' ' GLN . 7.6 tt0 71.36 -74.03 0.09 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.698 0.624 . . . . 0.0 110.087 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -68.17 -40.7 82.21 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 61.4 mt -67.52 -44.29 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.943 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.5 p -66.9 -32.04 73.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.829 0.347 . . . . 0.0 110.528 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -62.08 -45.2 94.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.953 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.97 -45.55 81.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.605 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.589 ' HG3' HD13 ' A' ' 29' ' ' ILE . 38.2 tt0 -58.21 -42.2 85.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -55.32 -49.69 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -62.46 -41.4 98.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.606 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 53' ' ' GLU . 14.1 p -78.08 -37.5 22.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.09 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 57' ' ' ARG . 18.3 ttm180 -66.09 -30.23 70.7 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 110.552 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -74.17 -18.85 60.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.36 21.08 55.6 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.775 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -86.77 -36.02 18.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.83 0.348 . . . . 0.0 110.683 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.8 pt -116.09 157.09 17.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.814 0.34 . . . . 0.0 110.449 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 139' ' ' GLU . 13.0 m -72.41 146.45 46.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -33.86 76.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.452 0.644 . . . . 0.0 109.424 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HG3' HG13 ' A' ' 128' ' ' VAL . 18.5 tptm -53.06 -42.04 65.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.763 175.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 7.5 tp10 -68.38 -42.5 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.566 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -57.09 -42.05 80.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.261 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.601 HG21 ' HD2' ' A' ' 143' ' ' PRO . 61.3 t -63.36 -44.37 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.262 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB2' HG11 ' A' ' 128' ' ' VAL . 39.5 ttp180 -59.14 -38.09 78.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.95 0.405 . . . . 0.0 110.744 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HD3' ' HE2' ' A' ' 72' ' ' LYS . 12.1 mmt180 -64.46 -45.78 85.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.697 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.24 -41.02 97.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.006 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.455 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -69.8 -29.69 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.349 -175.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.599 ' HE2' ' HD3' ' A' ' 69' ' ' ARG . 65.9 pttt -96.23 10.96 36.17 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.08 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 m -74.51 144.09 80.25 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.431 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 87.7 Cg_exo -48.63 -41.03 38.13 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.522 2.815 . . . . 0.0 113.457 -179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.25 -36.72 84.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.624 0.249 . . . . 0.0 111.011 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -73.11 -24.26 60.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG2' HD23 ' A' ' 120' ' ' LEU . 78.3 mtp180 -82.83 -29.65 29.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.871 175.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 74.4 mmtt -71.79 -32.64 67.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.479 . . . . 0.0 109.912 175.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -96.35 -175.97 3.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 172.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' HE1' HD22 ' A' ' 92' ' ' LEU . 75.9 t80 68.11 -70.12 0.13 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.56 -16.77 53.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.455 . . . . 0.0 111.116 -174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.601 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -75.13 -51.38 3.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.666 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 3.1 Cg_exo -78.44 -23.19 8.83 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.949 1.766 . . . . 0.0 112.513 177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -118.84 114.19 22.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.1 pt -66.72 172.3 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.02 -43.86 19.99 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.016 0.526 . . . . 0.0 111.553 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -59.63 -31.25 69.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.351 -175.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -103.97 -29.72 10.75 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.886 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.12 78.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 111' ' ' TYR . 39.2 tp -61.05 -43.26 99.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.67 -48.95 77.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.373 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.524 HD22 ' HE1' ' A' ' 80' ' ' PHE . 1.5 tt -64.45 -44.39 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.223 -178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB2' ' HZ ' ' A' ' 80' ' ' PHE . . . -63.59 -46.8 84.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.352 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -57.58 -49.28 76.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.427 0.632 . . . . 0.0 110.264 -178.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 95' ' ' ARG . 10.5 ttm180 -68.76 -29.44 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.04 -178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 36' ' ' ILE . 5.7 t-80 -76.97 -30.59 56.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.495 -175.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.499 HD12 HD12 ' A' ' 127' ' ' LEU . 70.9 mt -93.4 -51.09 11.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.436 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 127' ' ' LEU . 77.7 mt -94.92 -25.61 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.932 0.396 . . . . 0.0 111.45 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.67 -4.71 79.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.455 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.407 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 43.9 ttt85 -114.43 140.33 48.78 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.26 155.26 21.35 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.491 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.11 129.61 33.94 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.675 2.25 . . . . 0.0 111.673 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 t -123.21 -38.43 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 1.2 m -87.95 136.54 32.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -67.06 -35.58 80.16 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.542 -172.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -78.21 -31.69 49.55 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.664 ' HB3' ' HB2' ' A' ' 104' ' ' SER . 27.5 tt0 -59.9 -47.44 85.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.029 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 104' ' ' SER . 92.3 t -57.67 -54.63 28.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.669 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -57.16 -36.54 70.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.702 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.494 ' O ' HG13 ' A' ' 114' ' ' ILE . 61.6 tttm -59.51 -59.88 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.008 0.433 . . . . 0.0 110.597 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 90' ' ' LEU . 92.7 m-85 -72.99 -28.12 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.562 -175.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.58 -38.95 93.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.054 0.454 . . . . 0.0 110.034 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -70.25 -31.85 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.083 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 110' ' ' LYS . 77.2 mt -66.39 -47.58 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.529 ' HB ' HD22 ' A' ' 123' ' ' LEU . 15.0 p -72.05 -29.06 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.437 -177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.7 m -83.18 -45.3 14.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.628 0.252 . . . . 0.0 111.428 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.0 t -80.85 -46.06 15.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 -177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -84.6 -60.06 1.94 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.83 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 138.35 174.27 13.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.289 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.585 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 61.1 tp -60.1 -49.99 88.34 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.561 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -56.74 -31.59 88.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 121.945 1.763 . . . . 0.0 112.172 177.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.99 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.529 HD22 ' HB ' ' A' ' 115' ' ' VAL . 54.7 tp -61.34 -48.24 82.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -58.26 -45.67 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.301 176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.93 -42.59 99.28 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.775 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.6 75.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.521 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.499 HD12 HD12 ' A' ' 97' ' ' ILE . 99.1 mt -84.09 -31.67 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.829 0.347 . . . . 0.0 111.864 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.4 t -85.44 -42.01 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.89 -30.22 61.24 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 p -58.49 127.39 31.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.162 0.506 . . . . 0.0 111.37 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 50.6 tp60 -63.35 -27.95 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.357 -174.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.38 -52.58 64.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.123 0.487 . . . . 0.0 110.685 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.456 ' O ' ' HB2' ' A' ' 137' ' ' PHE . 21.6 m-85 -77.74 -22.29 50.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.444 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -69.34 -51.61 35.27 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.13 0.49 . . . . 0.0 110.745 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.78 -51.59 57.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.381 -174.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -75.94 -25.68 56.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -172.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.456 ' HB2' ' O ' ' A' ' 133' ' ' TYR . 57.6 m-85 -90.71 -40.95 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.113 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.94 131.04 7.26 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.707 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 20.5 mm-40 -79.1 -19.11 52.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.791 0.329 . . . . 0.0 111.252 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -84.86 -13.55 50.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.913 0.387 . . . . 0.0 110.072 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.1 m -84.65 144.05 28.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.141 -175.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.48 ' O ' ' HD1' ' A' ' 144' ' ' TYR . 40.9 t -88.19 127.53 56.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.586 172.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.601 ' HD2' HG21 ' A' ' 67' ' ' VAL . 60.6 Cg_endo -74.15 63.39 5.18 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 174.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.512 ' HB2' ' HG2' ' A' ' 35' ' ' GLN . 11.1 p90 -101.92 146.08 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.387 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 81.8 mt -92.41 81.18 4.89 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -178.14 175.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 140.83 72.6 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.573 175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.41 90.94 3.35 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.736 -0.273 . . . . 0.0 110.822 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 52.09 90.32 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.961 0.788 . . . . 0.0 113.073 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -89.25 123.55 33.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -58.33 130.38 46.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.252 0.549 . . . . 0.0 111.725 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.33 177.2 8.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 171.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -67.78 -77.12 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.872 0.306 . . . . 0.0 111.723 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -86.33 128.67 34.96 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.177 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.159 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.478 0.562 0 N-CA-C 110.328 -0.681 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -86.73 148.45 25.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -100.95 148.7 24.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -125.06 133.36 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 174.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -85.15 -19.98 30.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.1 t30 64.99 106.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.916 0.76 . . . . 0.0 110.485 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.3 117.3 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.371 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.71 133.74 53.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.16 167.22 13.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.33 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -89.33 99.81 12.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.981 0.42 . . . . 0.0 110.85 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 11' ' ' ARG . 26.1 ttt180 -148.77 27.92 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -83.05 177.09 8.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.81 -1.087 . . . . 0.0 110.665 -175.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.634 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -76.76 178.65 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.886 -176.739 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.447 ' HB3' HG13 ' A' ' 28' ' ' VAL . 96.6 m-85 -79.86 118.86 22.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 109.866 177.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.634 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . . . -145.4 151.4 38.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.533 ' SD ' HG22 ' A' ' 56' ' ' VAL . 51.7 ttm -113.15 112.8 24.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.103 0.478 . . . . 0.0 110.835 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -135.87 154.62 77.93 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.372 178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.59 127.23 25.31 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.48 2.12 . . . . 0.0 111.712 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.95 25.62 5.3 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.402 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.0 mt -117.66 147.39 42.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.646 0.26 . . . . 0.0 110.389 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.7 m -73.85 163.0 28.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.55 85.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.78 -38.7 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.2 tp10 -61.89 -53.3 57.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.078 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 29' ' ' ILE . 97.8 mttt -61.3 -42.23 98.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.281 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -54.84 -42.84 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.68 -41.55 83.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 24' ' ' GLU . 89.5 t -61.51 -43.18 96.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.925 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.563 HG21 ' HG3' ' A' ' 53' ' ' GLU . 77.2 mt -63.56 -45.81 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.965 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.9 -34.47 78.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.153 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.29 86.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.537 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.0 -55.65 32.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.711 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -58.31 -32.12 68.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.72 -29.47 62.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' A' ' 144' ' ' TYR . 65.2 mt-30 -105.46 -30.12 9.77 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.89 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 143' ' ' PRO . 36.2 mm -67.62 -40.67 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.591 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -102.42 -10.57 19.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.509 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.5 8.78 4.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.368 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -162.72 166.96 23.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.853 0.359 . . . . 0.0 110.199 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -79.19 176.04 10.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.073 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -133.03 161.17 42.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.092 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 t -70.42 153.33 43.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.292 0.568 . . . . 0.0 111.814 -173.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -74.05 5.05 4.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.329 -0.85 . . . . 0.0 112.097 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.09 -24.61 63.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.222 0.534 . . . . 0.0 110.016 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -108.38 130.1 55.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.296 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 p -150.64 -35.4 0.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.623 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.91 -66.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.826 -175.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -61.13 -30.26 70.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.901 0.381 . . . . 0.0 111.257 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.1 mt -69.1 -57.16 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -67.41 -22.24 65.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.589 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 44.6 t80 -62.68 -54.95 31.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.478 HD22 ' HD3' ' A' ' 69' ' ' ARG . 88.2 mt -65.49 -38.01 88.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.576 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.563 ' HG3' HG21 ' A' ' 29' ' ' ILE . 36.0 tt0 -59.87 -44.7 94.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.841 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -66.21 -31.67 72.64 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.108 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 22.3 mt-30 -63.83 -53.19 54.65 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.902 0.382 . . . . 0.0 110.531 177.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG22 ' SD ' ' A' ' 16' ' ' MET . 10.8 p -69.0 -36.64 74.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.78 -41.23 97.98 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.97 0.414 . . . . 0.0 110.665 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -67.13 -33.75 76.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.525 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.12 14.47 20.57 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.666 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.17 -40.47 90.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.276 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 65' ' ' GLU . 30.3 pt -135.28 154.67 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.312 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -95.22 -175.47 3.52 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.0 mmt -68.83 -33.46 73.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 78.8 tttt -54.36 -53.12 58.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.394 0.616 . . . . 0.0 109.794 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 16.8 tp10 -67.08 -39.96 86.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.782 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.71 -48.67 79.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.28 -44.29 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.992 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 128' ' ' VAL . 23.7 ttp85 -60.05 -44.49 94.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.015 0.436 . . . . 0.0 110.277 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' HD3' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.36 -39.91 92.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.205 -178.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.1 -49.75 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.401 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -76.34 -9.62 58.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 72' ' ' LYS . 9.9 ttpp -90.8 4.99 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.505 . . . . 0.0 110.467 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -77.42 142.6 67.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.239 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.91 -31.82 75.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.324 2.683 . . . . 0.0 112.418 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.3 -41.12 98.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.591 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -74.0 -24.3 59.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.154 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.1 ttt180 -80.34 -29.99 38.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.029 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -85.13 -37.74 19.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.128 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -82.38 158.61 23.27 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.617 ' HA ' ' HD1' ' A' ' 84' ' ' PHE . 54.3 m-85 67.8 -61.52 0.37 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.782 0.676 . . . . 0.0 111.95 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.82 -33.67 73.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.936 0.494 . . . . 0.0 112.218 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 39.5 tt0 -96.02 -49.03 0.25 Allowed Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 33.9 Cg_exo -62.54 -33.81 77.27 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.1 1.867 . . . . 0.0 112.694 177.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.617 ' HD1' ' HA ' ' A' ' 80' ' ' PHE . 89.0 m-85 -106.18 166.06 10.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.417 HG23 ' H ' ' A' ' 88' ' ' ARG . 13.5 tt -74.73 148.4 7.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.41 HD22 ' C ' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -51.9 -37.87 54.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.839 -178.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.1 m -63.54 -31.16 72.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.898 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' H ' HG23 ' A' ' 85' ' ' ILE . 16.1 tpt180 -85.92 -34.34 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.93 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.487 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 123' ' ' LEU . 44.2 tp -59.33 -51.41 70.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.61 -43.05 93.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.464 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.5 -38.39 80.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.923 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.38 81.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.528 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.406 ' HD1' HD12 ' A' ' 98' ' ' LEU . 52.1 m-85 -57.84 -46.71 84.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.097 177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -65.02 -28.32 69.42 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -83.77 -35.36 24.41 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.945 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 127' ' ' LEU . 71.8 mt -94.25 -50.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.622 -175.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD12 ' HD1' ' A' ' 94' ' ' PHE . 82.6 mt -89.87 -12.71 38.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 110.548 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.78 0.66 89.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.669 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -154.36 150.63 28.15 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.79 -178.32 40.62 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.939 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -61.15 150.77 82.88 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 123.074 2.516 . . . . 0.0 112.552 -176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.4 p -95.0 -38.26 10.74 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.213 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.9 t -130.3 155.5 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.06 -21.35 59.05 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.773 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -61.99 -43.01 99.75 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 170.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.04 -38.25 90.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.275 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 104' ' ' SER . 82.6 t -58.27 -59.2 3.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.607 176.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -60.19 -36.72 78.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.403 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.43 -51.79 68.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -83.51 -19.69 35.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.535 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -67.49 -34.55 77.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.2 t -64.53 -42.94 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.988 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.4 mt -60.38 -45.05 97.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.18 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' HB ' HD22 ' A' ' 123' ' ' LEU . 10.9 p -71.95 -24.25 22.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.773 0.32 . . . . 0.0 111.185 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.3 m -84.54 -27.31 27.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.334 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.4 t -97.28 -63.68 1.11 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.775 0.321 . . . . 0.0 111.005 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -78.12 -33.98 38.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.927 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 111.3 179.57 20.13 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.287 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 37.4 tp -62.23 -48.29 88.0 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-O 119.496 -0.288 . . . . 0.0 111.694 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.9 Cg_exo -55.51 -33.28 85.83 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 121.984 1.789 . . . . 0.0 112.5 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.91 -39.49 63.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 90' ' ' LEU . 59.1 tp -61.18 -48.22 82.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.082 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.441 HG11 ' HB3' ' A' ' 71' ' ' ALA . 84.5 t -57.38 -44.2 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.452 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -57.06 -49.79 74.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.794 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.41 -33.27 73.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.733 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.457 HD12 HD12 ' A' ' 97' ' ' ILE . 93.3 mt -81.96 -42.76 18.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.565 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 68' ' ' ARG . 99.8 t -74.67 -35.96 39.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 111.074 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 29.8 t70 -87.29 14.89 7.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.77 0.795 . . . . 0.0 110.337 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -72.89 106.56 4.86 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 17.1 mm100 -68.27 -11.99 60.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.274 -177.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.42 -51.51 59.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.544 0.688 . . . . 0.0 109.226 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -66.79 -41.39 87.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.964 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.515 ' O ' ' HA2' ' A' ' 138' ' ' GLY . . . -67.5 -24.1 65.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.774 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -84.68 -48.32 9.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.004 0.43 . . . . 0.0 111.077 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -65.69 -49.93 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.486 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -98.36 -41.55 7.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 134' ' ' ALA . . . 107.87 146.43 12.51 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.081 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.738 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 9.8 pt-20 -77.07 -5.07 47.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.128 0.49 . . . . 0.0 110.717 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -84.06 -15.57 46.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.67 176.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.518 HG23 ' HG3' ' A' ' 13' ' ' LYS . 86.5 m -90.47 140.62 29.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.337 -169.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.36 121.84 68.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.43 172.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.606 ' HG2' HD11 ' A' ' 36' ' ' ILE . 9.2 Cg_endo -54.12 111.75 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.922 2.415 . . . . 0.0 111.974 177.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.564 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.9 p90 -116.66 134.49 54.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.52 -177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.26 -13.1 60.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.466 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 69.0 14.17 8.83 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.21 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.4 -123.66 10.4 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.096 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 148' ' ' LEU . 0.7 OUTLIER 56.62 75.46 0.35 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 122.07 0.938 . . . . 0.0 110.005 -174.45 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.19 -39.13 1.37 Allowed 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.427 -1.26 . . . . 0.0 109.291 -177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -69.07 120.39 14.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.864 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.09 -48.44 76.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.251 0.548 . . . . 0.0 110.243 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -85.99 173.34 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -98.67 -112.05 0.16 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.706 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 54.6 65.01 1.62 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -169.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.09 -172.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo . . . . . 0 N--CA 1.474 0.34 0 N-CA-C 110.614 -0.571 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -135.42 135.2 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.577 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -77.94 -5.77 52.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 110.101 175.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -93.17 96.97 10.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.186 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -104.42 -36.38 7.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.674 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.3 t30 60.1 94.07 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.08 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.55 23.75 13.22 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.865 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.26 107.96 2.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.462 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' C ' ' HG2' ' A' ' 10' ' ' LYS . . . -173.2 136.32 0.63 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG2' ' C ' ' A' ' 9' ' ' ALA . 32.9 pttt 49.94 -82.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.03 116.2 18.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.12 0.486 . . . . 0.0 111.813 -174.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' NE2' ' H ' ' A' ' 9' ' ' ALA . 1.9 mp0 -102.49 -166.59 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.266 174.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -113.53 154.78 26.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.56 ' HB3' HG13 ' A' ' 28' ' ' VAL . 97.2 m-85 -86.64 121.64 29.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.881 0.372 . . . . 0.0 110.313 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.77 144.07 30.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.608 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 13.2 mmt -100.39 105.14 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -135.3 147.29 61.52 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.812 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.65 107.61 0.45 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.435 2.09 . . . . 0.0 111.03 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 55.48 0.13 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.79 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.25 156.95 45.32 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.518 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 5.8 m -81.92 162.21 22.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.357 177.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.31 83.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.73 -36.33 83.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.518 ' HG3' ' HB2' ' A' ' 21' ' ' SER . 45.5 mt-10 -66.13 -48.14 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.14 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 29' ' ' ILE . 94.7 mttt -62.43 -42.37 99.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.753 177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.48 -41.5 76.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.972 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.8 81.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 14' ' ' TYR . 64.7 t -67.3 -48.23 78.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.017 178.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 25' ' ' LYS . 59.6 mt -57.97 -48.69 83.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.346 -176.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 93.3 mttt -68.85 -32.74 72.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.195 -178.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.13 93.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.218 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -59.38 -50.83 72.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.935 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.446 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 49.5 m-85 -53.54 -43.1 68.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.152 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 76.5 mtt180 -60.99 -47.37 86.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.026 -175.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -89.54 -25.32 21.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 32' ' ' ALA . 30.4 mm -69.42 -44.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -95.75 -6.36 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 61.31 20.75 11.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.412 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -161.43 158.12 26.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.22 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -87.9 130.94 34.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.104 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.6 pt -79.82 154.27 4.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.87 163.06 27.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.187 -174.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -55.17 -38.9 68.91 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -15.28 63.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -86.62 94.63 9.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.64 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 81.4 p -167.81 -146.68 0.07 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.757 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 67.51 -83.98 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.506 0.722 . . . . 0.0 110.598 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.9 m -67.98 -33.28 74.33 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.64 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 56.6 mt -68.05 -47.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.462 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.565 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 9.1 p -70.82 -21.78 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.0 t80 -63.01 -49.8 73.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -37.77 85.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.092 176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.565 ' HB3' ' HA ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -56.73 -45.34 81.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.009 175.32 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.2 m -73.26 -25.93 60.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 16.4 mm100 -64.83 -47.13 79.11 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.841 0.353 . . . . 0.0 110.733 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.89 -30.92 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.601 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.3 ttp180 -68.1 -33.99 75.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.114 0.483 . . . . 0.0 110.269 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -67.46 -30.83 70.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.06 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.3 13.17 56.4 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -73.3 -37.25 66.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 110.125 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.9 pt -114.73 156.62 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.396 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.5 p -87.32 166.45 14.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.815 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 1.9 tpt -62.09 -36.33 81.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.255 0.55 . . . . 0.0 109.855 176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.843 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 32.2 tptt -64.02 -49.09 73.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.871 -178.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -66.03 -35.39 80.42 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.535 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 64.3 t80 -59.66 -45.88 90.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.365 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 63' ' ' MET . 88.1 t -59.43 -44.22 92.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 176.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 128' ' ' VAL . 9.4 ttp180 -61.06 -46.84 89.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.955 179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -62.63 -30.57 71.45 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.8 mt -71.44 -53.0 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.968 179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.3 -12.6 60.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.863 -175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.611 ' HG3' ' HA ' ' A' ' 121' ' ' PRO . 80.3 tttt -93.52 1.59 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.36 -178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.451 ' HB3' ' HD2' ' A' ' 74' ' ' PRO . 63.4 m -97.94 157.39 34.66 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.065 0.459 . . . . 0.0 111.778 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 73' ' ' SER . 11.5 Cg_endo -55.38 -26.25 52.14 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.809 3.006 . . . . 0.0 113.981 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.26 -42.99 96.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.659 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 65.1 t80 -72.92 -29.76 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.423 0.63 . . . . 0.0 109.566 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -67.9 -50.29 57.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.908 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.84 -54.18 39.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.417 -175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -86.56 10.35 15.68 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 73.8 m-85 -132.47 -65.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.32 -28.84 62.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.6 tt0 -66.65 -53.74 26.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.247 -177.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 62.6 Cg_endo -77.1 -39.89 0.54 Allowed 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.678 1.586 . . . . 0.0 112.587 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.536 ' HB3' ' HB2' ' A' ' 88' ' ' ARG . 66.4 m-85 -101.31 113.8 27.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.952 0.406 . . . . 0.0 110.27 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.0 pt -67.9 -177.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -172.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -41.83 -54.14 3.49 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.759 -1.11 . . . . 0.0 113.643 -170.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 m -63.14 -31.78 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -173.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.536 ' HB2' ' HB3' ' A' ' 84' ' ' PHE . 72.3 mtt-85 -80.69 -36.15 32.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.008 0.432 . . . . 0.0 110.156 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.7 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.716 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.7 tp -61.22 -48.37 81.8 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.51 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.19 -54.16 46.84 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.107 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.403 HD13 ' HD1' ' A' ' 80' ' ' PHE . 96.0 mt -63.18 -39.32 94.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.597 -176.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.52 -51.99 66.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.97 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.405 ' HZ ' ' CD2' ' A' ' 111' ' ' TYR . 8.2 m-85 -58.37 -37.55 75.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 111.539 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.437 ' HB3' HD21 ' A' ' 145' ' ' LEU . 48.3 mtt180 -79.52 -15.98 56.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.876 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -94.3 -44.51 7.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.75 0.309 . . . . 0.0 110.98 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 124' ' ' VAL . 92.7 mt -73.8 -40.98 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.15 0.5 . . . . 0.0 111.48 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 133' ' ' TYR . 71.7 mt -116.67 -23.98 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.413 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 69.1 27.88 73.42 Favored Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -171.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -112.77 -76.66 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.858 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 -178.08 16.45 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.546 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.91 106.06 1.8 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.36 2.04 . . . . 0.0 111.895 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 m -57.37 -69.01 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.991 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 108' ' ' VAL . 30.6 m -139.76 179.05 6.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.427 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 105' ' ' ARG . 17.2 ptt180 -57.48 -45.55 84.73 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -172.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 105' ' ' ARG . 41.0 mt-10 -68.67 -34.73 76.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.054 -176.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' OE1' ' HB2' ' A' ' 104' ' ' SER . 6.0 mp0 -63.24 -44.56 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 175.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' SER . 97.6 t -57.23 -56.23 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.419 177.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.954 -176.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.06 -57.56 12.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.71 0.29 . . . . 0.0 111.127 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 94' ' ' PHE . 83.4 m-85 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.434 -175.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HA ' HG12 ' A' ' 115' ' ' VAL . 92.5 t80 -62.2 -38.98 91.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 110.04 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.0 m -66.72 -35.38 79.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.229 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -45.71 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.737 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.507 ' O ' ' HA2' ' A' ' 119' ' ' GLY . 8.4 p -72.92 -18.59 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.052 0.453 . . . . 0.0 110.985 -179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.9 t -84.99 -43.25 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.721 0.296 . . . . 0.0 110.243 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.0 t -72.55 -62.0 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.698 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -90.66 -44.1 4.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.959 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 115' ' ' VAL . . . 114.23 -165.22 12.04 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.983 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.45 -49.03 96.15 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.611 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 82.6 Cg_exo -48.67 -40.16 38.18 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 122.125 1.883 . . . . 0.0 112.681 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.61 -47.66 30.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.772 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.407 HD22 ' HB ' ' A' ' 115' ' ' VAL . 60.6 tp -59.34 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.121 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.423 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 93.2 t -62.15 -43.13 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.04 -45.79 87.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.931 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.15 77.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.61 -35.24 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 68' ' ' ARG . 64.6 t -83.95 -40.28 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.784 -0.367 . . . . 0.0 111.911 -175.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.44 -17.83 60.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 t -67.39 127.39 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -56.74 -36.51 69.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.695 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 132' ' ' GLU . 20.9 mp0 -59.58 -52.38 65.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.603 ' HA ' ' HD2' ' A' ' 137' ' ' PHE . 35.3 m-85 -74.77 -23.02 58.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.876 -177.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.843 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -75.36 -44.64 43.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -82.99 -58.99 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.872 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -62.35 -34.33 76.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.779 -173.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.603 ' HD2' ' HA ' ' A' ' 133' ' ' TYR . 93.4 m-85 -96.22 3.21 53.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.958 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.8 135.92 0.88 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.151 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.605 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . 9.3 pt-20 -104.72 -15.9 15.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 174.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -85.11 -43.99 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 8.0 m -88.1 147.85 24.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.173 -175.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.453 HG22 ' SD ' ' A' ' 63' ' ' MET . 15.3 t -73.55 128.48 87.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 172.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.75 126.7 21.94 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.897 2.398 . . . . 0.0 112.776 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -116.91 136.36 53.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.501 . . . . 0.0 111.383 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 95' ' ' ARG . 5.1 mp -93.44 -7.79 43.49 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 172.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.48 ' HG2' ' OE1' ' A' ' 149' ' ' GLU . 65.1 mtt-85 -59.72 111.26 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.158 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 124.91 -39.74 2.04 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.3 tt -100.05 -19.49 16.5 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.48 ' OE1' ' HG2' ' A' ' 146' ' ' ARG . 7.2 pt-20 -64.01 93.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.511 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -143.25 145.33 32.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.41 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -85.16 132.55 34.28 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 176.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -52.22 137.68 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.747 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -138.71 -164.54 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.979 -171.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -41.84 121.75 1.86 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.056 0.848 . . . . 0.0 112.267 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 32.0 p80 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.492 176.283 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.477 0.554 0 N-CA-C 111.392 -0.272 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 56.95 80.63 0.15 Allowed 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.661 0.6 . . . . 0.0 109.841 -175.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 m 61.13 89.75 0.07 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.196 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.503 ' HD2' HD22 ' A' ' 6' ' ' ASN . 52.7 p90 -74.36 151.93 39.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.307 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -99.6 -66.17 0.92 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.512 -171.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.503 HD22 ' HD2' ' A' ' 4' ' ' TYR . 33.6 m-80 55.83 67.9 0.94 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.488 -173.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.86 169.55 11.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.475 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' C ' ' H ' ' A' ' 10' ' ' LYS . . . -83.87 -71.95 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.172 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.03 -10.64 0.16 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.654 0.782 . . . . 0.0 112.593 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 8' ' ' ALA . 40.8 mtmt -84.6 84.04 7.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.2 0.524 . . . . 0.0 111.277 -176.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 11' ' ' ARG . 36.4 ttp-105 -164.52 148.54 9.35 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 175.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -75.85 151.36 37.46 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.372 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -107.99 -151.98 0.48 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.121 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG22 ' A' ' 28' ' ' VAL . 91.2 m-85 -63.78 140.31 58.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.984 0.421 . . . . 0.0 111.316 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.548 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . . . -147.26 142.81 27.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.104 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mmt -82.41 98.65 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 111.205 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HE3' ' HB3' ' A' ' 15' ' ' ALA . 89.4 mttt -122.71 137.04 27.33 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.41 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.4 Cg_exo -71.45 113.29 3.57 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.837 2.358 . . . . 0.0 110.926 171.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.7 -0.81 5.9 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -174.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.08 156.24 18.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.681 0.277 . . . . 0.0 110.413 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -67.84 157.35 35.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.185 175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -44.19 95.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.895 0.378 . . . . 0.0 110.978 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.44 -31.1 71.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 28' ' ' VAL . 7.2 tp10 -67.55 -48.81 65.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.64 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.33 -44.49 84.29 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.292 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.09 -41.64 88.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.77 97.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.808 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 24' ' ' GLU . 58.1 t -56.34 -44.29 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.599 HG21 ' HG2' ' A' ' 53' ' ' GLU . 63.5 mt -63.87 -51.25 71.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.589 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.5 -31.51 69.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.81 0.338 . . . . 0.0 110.641 -176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.98 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.635 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.63 -47.67 82.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.41 ' HD1' ' HE2' ' A' ' 37' ' ' PHE . 44.8 m-85 -61.05 -44.65 97.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 110.291 176.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HD2' ' O ' ' A' ' 39' ' ' ARG . 27.4 tpt180 -53.77 -45.05 70.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.527 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.488 HE22 ' HB3' ' A' ' 144' ' ' TYR . 26.3 tt0 -87.82 -44.01 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.369 -0.378 . . . . 0.0 112.007 -174.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD11 HG22 ' A' ' 67' ' ' VAL . 20.6 mt -70.38 -43.24 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.599 -176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' HE2' ' HD1' ' A' ' 33' ' ' TYR . 92.6 m-85 -84.27 -9.06 58.81 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.031 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 61.09 25.49 15.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.928 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.555 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 16.6 ttm180 -150.4 -91.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.89 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 32.3 t70 162.98 144.26 0.01 OUTLIER 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 -177.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 pt -102.25 156.43 4.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.821 -177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.489 ' HG1' ' HD1' ' A' ' 45' ' ' TYR . 6.8 m -67.62 143.81 55.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.875 176.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -66.45 -14.77 62.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.913 0.387 . . . . 0.0 111.234 -176.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.11 31.0 6.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.196 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' HD1' ' HG1' ' A' ' 42' ' ' THR . 5.0 t80 -80.01 82.44 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.4 m 68.64 146.49 0.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.417 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -81.74 -25.24 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.008 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 t -65.09 -39.2 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.255 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mm -67.56 -41.02 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 p -74.08 -26.14 60.21 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.674 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -63.12 -40.17 96.84 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.281 0.562 . . . . 0.0 109.658 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' SER . 69.1 mt -63.8 -38.39 90.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.799 174.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.599 ' HG2' HG21 ' A' ' 29' ' ' ILE . 0.6 OUTLIER -63.19 -49.69 73.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.55 177.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.8 m -51.32 -42.63 61.34 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -64.65 -46.31 83.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.979 -178.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.21 -29.68 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.657 -177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -47.7 80.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.044 0.45 . . . . 0.0 109.983 175.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.1 -29.39 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.141 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.7 27.99 11.94 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.021 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.79 -35.71 38.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.019 0.438 . . . . 0.0 110.534 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.0 pt -116.6 149.26 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.626 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -76.98 165.15 25.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.555 ' SD ' HG22 ' A' ' 142' ' ' VAL . 2.5 ttm -71.32 -28.12 63.87 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.178 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HE2' ' NH2' ' A' ' 68' ' ' ARG . 1.4 tmtp? -63.53 -39.27 93.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.11 -45.75 76.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.129 0.49 . . . . 0.0 110.127 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -57.03 -48.17 79.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.12 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.534 HG22 HD11 ' A' ' 36' ' ' ILE . 78.0 t -59.73 -47.37 91.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.123 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HD3' ' OD1' ' A' ' 125' ' ' ASP . 11.7 ttm-85 -61.59 -39.42 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.281 -178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HD2' HD22 ' A' ' 52' ' ' LEU . 19.2 ttm180 -72.2 -36.3 69.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.802 -176.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.48 -40.69 63.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.399 . . . . 0.0 111.048 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 124' ' ' VAL . . . -76.21 -17.53 59.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.524 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' A' ' 125' ' ' ASP . 44.6 mtpt -103.04 17.58 23.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.636 0.255 . . . . 0.0 110.846 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -74.39 151.84 87.69 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.353 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.58 -33.91 80.65 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.85 2.367 . . . . 0.0 112.095 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 60.8 tp -67.53 -49.85 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.962 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.73 -37.08 86.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.869 0.366 . . . . 0.0 110.379 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HA ' HD23 ' A' ' 120' ' ' LEU . 75.9 ttt180 -67.71 -29.97 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.925 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -77.85 -17.49 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.229 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 15.3 mm100 -95.94 143.08 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.688 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.466 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 70.3 m-85 68.39 -60.44 0.42 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.658 0.783 . . . . 0.0 112.88 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' A' ' 120' ' ' LEU . 82.5 t80 -62.94 -33.02 74.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.708 0.29 . . . . 0.0 111.749 -174.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.4 tm-20 -78.3 -57.68 0.88 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.392 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 46.9 Cg_endo -69.81 -39.44 6.41 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.852 1.701 . . . . 0.0 113.65 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.466 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 99.1 m-85 -97.41 165.13 12.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.765 0.317 . . . . 0.0 110.695 -175.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -77.27 149.13 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.302 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -52.85 -36.6 59.17 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.886 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -64.47 -22.28 66.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.728 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -92.64 -36.74 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 176.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.8 86.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.385 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 48.0 tp -56.74 -50.93 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.87 177.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -61.82 -46.49 89.28 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.54 -40.32 96.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.64 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -51.36 69.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.026 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.477 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 30.5 m-85 -56.24 -45.39 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 177.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.52 -37.28 77.06 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.752 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -76.75 -30.79 56.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -174.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -96.08 -48.78 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.678 0.275 . . . . 0.0 111.598 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.45 -25.99 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.444 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.763 ' HA2' ' HG ' ' A' ' 145' ' ' LEU . . . 96.43 5.04 59.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.913 178.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -138.42 -70.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.321 0.582 . . . . 0.0 110.615 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 141.94 -149.55 21.26 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -174.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.459 ' HB3' HG22 ' A' ' 108' ' ' VAL . 15.9 Cg_exo -69.52 132.03 22.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.752 2.302 . . . . 0.0 112.152 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 m -81.3 -39.76 24.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 110.483 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 108' ' ' VAL . 64.6 p -146.41 163.95 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.559 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -72.81 -21.86 60.91 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.791 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -75.65 -36.9 60.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 175.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.96 -39.56 90.04 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 104' ' ' SER . 94.5 t -55.51 -52.23 49.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.288 174.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -64.63 -35.32 80.63 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.67 -177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -61.76 -47.85 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 110.749 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.479 ' HA ' HD12 ' A' ' 114' ' ' ILE . 78.1 m-85 -81.58 -19.56 41.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -62.86 -41.94 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.378 . . . . 0.0 110.056 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 p -71.31 -29.52 65.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.916 0.389 . . . . 0.0 110.583 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.9 mt -68.53 -50.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.5 p -68.99 -23.59 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.3 t -84.83 -18.63 34.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.603 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.8 t -85.59 -50.21 7.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -104.96 -37.17 2.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.542 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 120.33 -165.58 13.73 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 36.9 tp -60.34 -49.42 90.52 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.477 -0.297 . . . . 0.0 111.647 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 71.5 Cg_exo -51.61 -39.08 66.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.086 1.857 . . . . 0.0 112.77 178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -66.78 -44.7 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.51 -52.04 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.732 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 71' ' ' ALA . 75.2 t -58.91 -46.89 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.053 -178.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.694 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 23.1 t70 -58.83 -47.33 85.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.614 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.22 75.84 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 111.368 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.01 -54.78 15.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.259 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 53.6 t -66.41 -35.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.0 111.022 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -58.71 -37.57 76.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.036 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.1 p -46.33 124.01 5.33 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.62 0.724 . . . . 0.0 112.514 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 16.5 mm100 -72.51 -19.39 61.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.68 179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -56.83 -52.42 65.13 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 172.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' A' ' 143' ' ' PRO . 29.2 t80 -67.4 -38.49 84.76 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.833 178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 131' ' ' GLN . . . -64.83 -32.67 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.748 -177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -80.57 -30.78 36.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.723 0.297 . . . . 0.0 111.166 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -75.26 -47.25 28.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.263 -176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -99.18 -40.25 8.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.333 . . . . 0.0 111.517 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 111.97 174.55 19.66 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.116 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 64' ' ' LYS . 12.6 pt-20 -90.71 -9.78 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.337 0.589 . . . . 0.0 110.104 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.525 ' OE2' ' HE2' ' A' ' 17' ' ' LYS . 7.2 pt-20 -99.98 -32.52 10.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.933 -171.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.9 m -81.02 145.52 31.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.551 -172.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.559 ' O ' ' HD1' ' A' ' 144' ' ' TYR . 45.5 t -71.35 116.62 49.07 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 171.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 133' ' ' TYR . 41.0 Cg_exo -59.0 113.46 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.976 2.451 . . . . 0.0 111.946 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.559 ' HD1' ' O ' ' A' ' 142' ' ' VAL . 44.8 p90 -136.04 169.54 17.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 111.188 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.763 ' HG ' ' HA2' ' A' ' 99' ' ' GLY . 6.3 mp -73.41 109.51 6.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.393 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -115.16 -47.07 2.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.3 13.02 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.807 176.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.6 mt -85.38 131.22 34.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.977 0.418 . . . . 0.0 110.684 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -104.17 -165.91 1.2 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -158.99 75.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.054 173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -75.17 90.58 2.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.552 0.691 . . . . 0.0 110.965 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -155.55 42.97 0.43 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -100.42 17.28 21.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.762 -170.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 65.91 -80.15 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -170.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.213 -0.899 . . . . 0.0 108.644 173.611 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.479 0.633 0 N-CA-C 110.928 -0.451 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -122.18 168.49 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.454 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m 61.12 22.47 12.76 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.767 0.667 . . . . 0.0 111.83 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -80.9 92.08 6.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.939 0.4 . . . . 0.0 110.871 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -178.98 124.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.858 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -133.12 118.97 19.35 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 0.0 110.587 -178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.85 -55.89 0.2 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.435 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.65 175.99 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.48 87.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.386 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm 64.39 17.37 10.75 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.589 0.556 . . . . 0.0 112.256 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.5 mtm-85 -89.16 90.51 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 66.47 109.67 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.163 -0.926 . . . . 0.0 113.044 167.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 13' ' ' LYS . 20.1 ptmt -160.99 136.58 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 173.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -90.7 106.85 18.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.24 155.95 41.96 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.761 -177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.3 mmt -83.04 109.84 17.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 0.0 109.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 39.9 mtmt -101.01 149.69 36.44 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 -173.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 22.5 Cg_exo -65.38 108.86 1.26 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.471 2.114 . . . . 0.0 111.65 177.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.35 43.93 23.67 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.588 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.746 ' HB3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -95.89 151.62 19.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.836 0.351 . . . . 0.0 110.66 179.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HD22 ' A' ' 20' ' ' LEU . 25.9 t -74.87 159.61 31.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.073 0.463 . . . . 0.0 111.6 -170.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.57 77.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.278 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.39 -47.18 85.29 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.188 0.518 . . . . 0.0 110.359 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HB2' HD23 ' A' ' 20' ' ' LEU . 29.2 mt-10 -60.48 -44.66 95.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.668 175.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HE2' HD11 ' A' ' 20' ' ' LEU . 35.6 ttmt -63.62 -47.37 81.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.299 -1.318 . . . . 0.0 111.698 -175.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -56.65 -45.19 81.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 0.0 110.756 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.79 -43.31 94.49 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.138 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 24' ' ' GLU . 90.9 t -67.13 -43.41 88.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 25' ' ' LYS . 76.8 mt -60.01 -48.8 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.09 -37.51 87.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.719 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.53 87.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.563 178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.05 -48.08 82.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.635 177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -64.51 -36.16 83.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.78 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.738 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.6 mtp85 -75.35 -9.19 58.34 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -104.41 -44.38 4.94 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.072 173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.13 -53.44 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.631 0.253 . . . . 0.0 111.076 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -99.49 -5.89 28.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.357 0.599 . . . . 0.0 109.856 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.738 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 40.2 mt-10 60.35 28.54 18.16 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.96 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -173.07 147.76 1.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 16.9 m-20 -72.7 96.91 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -57.82 136.16 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.0 111.473 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -84.55 142.6 29.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.191 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? 46.29 20.67 0.09 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.42 1.088 . . . . 0.0 113.054 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 66.51 -0.3 1.58 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.515 0.726 . . . . 0.0 112.547 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 67.12 -58.93 0.4 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.325 0.65 . . . . 0.0 112.606 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.435 ' HB3' HG12 ' A' ' 49' ' ' ILE . 46.6 t -127.57 147.31 50.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.698 0.285 . . . . 0.0 110.236 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -67.51 -29.05 68.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.129 0.49 . . . . 0.0 110.589 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 43.8 m -57.33 -37.33 72.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.331 175.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 HG12 ' HB3' ' A' ' 46' ' ' SER . 50.6 mm -68.53 -41.47 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.135 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.0 m -60.83 -35.54 76.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.94 0.4 . . . . 0.0 110.815 177.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 48.8 t80 -69.89 -41.48 74.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.112 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' SER . 97.2 mt -61.82 -43.26 99.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 175.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.92 -46.88 78.34 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.306 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.6 t -61.22 -39.39 90.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.224 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 47.3 mt-30 -65.85 -46.55 78.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.674 0.273 . . . . 0.0 111.438 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.52 -24.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.063 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 67.8 ttt180 -69.14 -33.49 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.928 177.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -91.7 0.4 57.5 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.873 0.368 . . . . 0.0 110.678 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.55 23.69 77.73 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.284 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.97 -34.16 57.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 0.0 109.81 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.7 pt -123.93 145.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.101 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.8 p -74.33 170.36 15.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.901 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.7 mmt -66.62 -32.78 74.33 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.633 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -57.25 -44.62 84.04 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 11.3 mm-40 -66.16 -46.82 76.07 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.947 177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.476 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 38.8 t80 -54.03 -47.51 71.49 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.556 0.535 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.05 -41.81 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 68' ' ' ARG . 2.9 ttm180 -61.09 -38.58 86.78 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 110.385 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 8.0 mmt85 -72.84 -38.72 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 -178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 88.5 mt -64.45 -42.07 96.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.831 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . . . -69.01 -28.19 66.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 72' ' ' LYS . 14.7 tmtt? -77.25 -22.17 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.114 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.3 m -64.17 137.47 97.12 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.795 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.83 -34.99 68.09 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.343 2.695 . . . . 0.0 113.434 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 54.3 tp -58.03 -58.46 8.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.752 179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 67.9 t80 -64.32 -41.38 96.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.779 0.323 . . . . 0.0 110.508 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt-85 -54.29 -50.29 67.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.931 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 82' ' ' GLU . 73.5 tttt -71.44 -32.5 68.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.811 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 28.4 mm-40 -54.24 -35.79 62.86 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 78.1 m-85 -115.64 13.17 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.601 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -109.84 -37.9 5.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.299 . . . . 0.0 111.007 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.599 ' HG2' ' HG3' ' A' ' 78' ' ' LYS . 79.2 mm-40 -73.34 -55.47 3.64 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 82' ' ' GLU . 11.8 Cg_endo -90.73 -4.76 4.62 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.346 2.031 . . . . 0.0 113.133 -174.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 95.6 m-85 -120.24 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.203 0.525 . . . . 0.0 111.155 -175.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -84.93 162.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.684 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -45.99 -49.76 15.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.201 0.6 . . . . 0.0 111.739 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -55.82 -44.81 78.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.108 -177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 88' ' ' ARG . 6.8 tpt180 -82.02 -33.86 29.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.923 -175.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.51 86.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.076 0.465 . . . . 0.0 109.838 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 123' ' ' LEU . 38.3 tp -60.87 -46.35 90.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.392 176.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -59.7 -47.27 86.3 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.89 -29.94 70.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.236 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.68 -51.07 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.672 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.94 -27.85 69.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.914 0.387 . . . . 0.0 111.196 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -48.29 21.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.451 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.43 -21.56 20.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.387 -168.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.5 mt -95.78 -62.7 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.144 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' ' 127' ' ' LEU . 5.0 mp -84.77 -34.86 22.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.98 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.11 41.93 6.1 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.693 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -139.67 -74.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 110.565 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.13 173.51 13.41 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.637 -0.792 . . . . 0.0 111.739 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.0 Cg_exo -72.75 124.6 9.85 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.863 2.376 . . . . 0.0 111.772 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.0 p -73.54 -67.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.29 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 108' ' ' VAL . 24.1 t -145.74 173.83 11.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.934 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -53.81 -32.51 52.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.579 0.549 . . . . 0.0 112.353 -174.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.5 -57.6 12.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.706 0.289 . . . . 0.0 111.077 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 110' ' ' LYS . 4.2 tp10 -65.59 -35.42 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.907 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 104' ' ' SER . 88.2 t -60.89 -57.14 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.164 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.77 -36.6 81.53 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.707 -176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' OE1' ' A' ' 107' ' ' GLU . 68.4 tttt -53.72 -51.48 63.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.434 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -83.32 -23.7 32.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.718 0.294 . . . . 0.0 111.217 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -62.03 -36.45 81.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.023 0.439 . . . . 0.0 110.208 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.9 t -66.71 -34.72 78.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.93 -45.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.509 ' HB ' HD22 ' A' ' 123' ' ' LEU . 12.4 p -70.49 -25.72 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.708 -177.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.6 p -84.48 -46.1 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.781 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -84.42 -56.52 3.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.7 -36.72 52.98 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.243 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.16 170.57 17.0 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.56 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 56.3 tp -58.88 -50.04 90.15 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.726 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -57.01 -38.83 95.03 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.848 1.699 . . . . 0.0 112.287 178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.95 99.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 110.581 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.509 HD22 ' HB ' ' A' ' 115' ' ' VAL . 39.8 tp -61.49 -53.9 50.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.366 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 71' ' ' ALA . 86.6 t -57.84 -43.43 84.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.105 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -56.99 -44.84 83.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.289 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.8 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.283 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.505 ' HB3' HD11 ' A' ' 98' ' ' LEU . 94.3 mt -78.97 -43.91 23.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 -179.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.98 -44.38 78.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.707 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.29 8.66 20.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 -174.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.2 t -53.5 121.98 8.82 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.127 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -60.41 -37.2 80.1 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.525 ' O ' ' HD2' ' A' ' 136' ' ' TYR . 2.0 mp0 -57.3 -56.35 22.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.823 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 98' ' ' LEU . 84.0 t80 -56.62 -46.25 81.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.026 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.17 63.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.958 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.21 -46.66 12.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 111.151 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.525 ' HD2' ' O ' ' A' ' 132' ' ' GLU . 77.5 m-85 -70.8 -45.65 64.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.697 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -91.97 -36.34 13.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 111.379 -176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 94.14 130.55 5.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.478 -176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.68 -14.92 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.794 0.331 . . . . 0.0 111.432 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.02 -22.77 36.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.824 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.7 m -88.73 143.51 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.422 -171.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.95 133.42 65.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -39.92 117.74 0.45 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.373 2.715 . . . . 0.0 112.158 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.65 81.29 8.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.289 0.566 . . . . 0.0 111.427 -175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 72.3 mt -103.13 119.24 38.49 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.101 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -82.14 -12.7 58.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.574 0.702 . . . . 0.0 109.126 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.18 -141.54 15.34 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 114.933 -1.03 . . . . 0.0 111.029 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 148' ' ' LEU . 2.3 pt? -156.21 40.85 0.37 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -32.61 106.0 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.873 1.358 . . . . 0.0 113.312 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -127.38 69.89 1.3 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.822 -1.081 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -73.63 96.02 2.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.583 -175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -89.36 -10.74 45.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.493 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -148.88 135.47 19.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.236 173.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -142.38 163.09 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.113 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.155 178.484 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.483 0.87 0 CA-C-O 120.645 0.185 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -136.75 -25.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 t -79.1 89.67 4.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.151 0.501 . . . . 0.0 111.013 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -120.77 -52.27 2.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.203 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -93.6 29.44 2.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.071 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.9 t30 71.49 104.24 0.07 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.538 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.71 51.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.86 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.35 88.94 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.139 0.495 . . . . 0.0 110.465 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.27 142.84 34.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.107 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -126.44 -71.66 0.68 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.994 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.0 56.22 3.77 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.337 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -84.67 -13.09 52.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.745 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -131.72 111.95 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.38 0.61 . . . . 0.0 110.888 -178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HB3' HG22 ' A' ' 28' ' ' VAL . 93.0 m-85 -94.49 132.38 39.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.707 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.85 135.98 50.79 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 54.7 tpp -83.19 45.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 122.022 0.915 . . . . 0.0 108.725 173.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.699 ' HG3' ' HB3' ' A' ' 20' ' ' LEU . 17.0 pttm -52.01 138.52 35.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 114.088 -1.415 . . . . 0.0 111.515 -178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 52.0 Cg_exo -52.65 113.97 1.48 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.088 2.525 . . . . 0.0 112.862 -176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.73 48.75 6.46 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.739 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.699 ' HB3' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -104.45 155.79 18.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.958 0.409 . . . . 0.0 111.578 -177.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -68.59 162.99 24.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.752 -168.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 -50.53 67.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.813 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.89 -40.94 81.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.552 177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.1 mm-40 -58.08 -51.89 67.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.491 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 25' ' ' LYS . 33.8 ttmt -61.75 -43.2 99.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.316 -174.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -58.74 -39.94 82.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.46 -38.17 74.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.022 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 24' ' ' GLU . 84.0 t -62.51 -48.68 87.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.525 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 53' ' ' GLU . 75.6 mt -63.92 -36.77 77.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.75 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -62.47 -45.74 91.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.456 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.79 -37.65 86.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.92 -55.08 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.275 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -65.88 -29.8 70.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.375 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 33.5 ttt180 -79.85 -12.21 59.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.199 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 143' ' ' PRO . 6.1 tp-100 -106.74 -45.31 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.61 0.243 . . . . 0.0 111.573 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.33 -57.14 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.348 . . . . 0.0 111.103 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' ' 70' ' ' LEU . 76.4 m-85 -99.45 0.96 43.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.072 177.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 52.6 mt-10 57.24 23.01 8.24 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.573 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 58.28 29.53 18.2 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.929 0.871 . . . . 0.0 111.249 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -69.26 -23.13 63.81 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 169.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -63.17 153.68 6.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.639 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 p -118.54 160.41 21.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.572 0.701 . . . . 0.0 111.686 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 94.2 mttt -61.06 145.97 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.062 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . 74.95 15.5 3.04 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 123.834 0.709 . . . . 0.0 111.431 -179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.86 177.47 0.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 120.707 0.289 . . . . 0.0 110.871 170.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.2 t -50.9 135.61 24.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.054 0.454 . . . . 0.0 111.897 -175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' HG3' ' H ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -64.55 -15.8 61.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.183 -177.517 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.462 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -63.1 -32.07 73.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.283 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.58 -42.19 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.123 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -67.43 -34.67 77.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.103 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -58.07 -42.62 85.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.262 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.5 mt -65.61 -42.71 91.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.802 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG21 ' A' ' 29' ' ' ILE . 32.7 tt0 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.374 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.6 t -59.32 -41.62 89.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.518 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.78 -40.97 68.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.015 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 p -72.41 -29.33 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.011 0.434 . . . . 0.0 110.222 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.1 ttm-85 -67.6 -33.5 75.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.113 0.482 . . . . 0.0 110.346 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -87.87 3.54 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.07 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.83 22.54 68.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.487 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.11 -38.99 34.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.294 0.569 . . . . 0.0 109.72 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 33.7 pt -114.69 137.62 47.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.638 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -73.24 164.94 25.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.112 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 43.0 tpp -61.37 -42.73 99.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.316 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE3' ' O ' ' A' ' 128' ' ' VAL . 83.3 tttt -54.68 -39.3 67.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.81 175.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.82 -41.11 60.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.584 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 53.0 t80 -59.75 -50.07 75.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.12 -43.18 95.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.695 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -56.44 -53.12 61.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.344 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.6 mtt-85 -58.05 -45.45 87.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 74.4 mt -58.68 -52.91 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 111.43 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -75.39 -15.12 60.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.593 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -91.1 -10.53 41.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.11 0.481 . . . . 0.0 109.865 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.9 m -71.74 149.79 93.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.181 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -52.77 -25.6 27.47 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.329 2.686 . . . . 0.0 113.114 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.83 86.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -81.31 -23.34 37.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.293 0.568 . . . . 0.0 110.058 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.532 ' HA ' HD23 ' A' ' 120' ' ' LEU . 74.3 mtp180 -70.48 -23.05 62.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.178 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -93.82 -64.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.67 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 19.8 mt-30 -78.75 143.85 35.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.033 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 76.5 m-85 73.35 4.87 4.94 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.923 0.764 . . . . 0.0 111.757 -176.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -131.48 -66.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -55.45 -49.88 90.03 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.22 9.34 1.8 Allowed 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.732 1.621 . . . . 0.0 113.012 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.53 160.25 32.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.24 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.12 154.72 3.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.61 -37.76 42.07 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -69.86 -25.56 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.346 . . . . 0.0 111.541 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -81.57 -45.39 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.484 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -29.7 71.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.762 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 123' ' ' LEU . 23.0 tp -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.806 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.08 -38.81 86.38 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.885 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.11 -44.61 94.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.62 68.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.798 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' HB3' ' O ' ' A' ' 100' ' ' ARG . 16.3 m-85 -58.06 -40.85 82.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.545 178.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -68.49 -27.76 66.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -86.03 -22.6 27.15 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 HG13 ' A' ' 124' ' ' VAL . 72.1 mt -101.72 -59.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.269 . . . . 0.0 111.679 -176.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.2 mt -93.92 -26.18 16.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.109 0.48 . . . . 0.0 110.715 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.28 10.77 61.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.84 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.667 ' HB2' ' HA3' ' A' ' 147' ' ' GLY . 2.0 tpm_? -155.85 130.68 9.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 94' ' ' PHE . . . -84.67 169.02 44.41 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.489 ' HB2' HG22 ' A' ' 108' ' ' VAL . 36.9 Cg_endo -64.66 145.36 86.73 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.841 2.361 . . . . 0.0 111.82 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -121.71 -30.77 4.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.801 -174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.1 m -94.13 149.05 21.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.83 -0.168 . . . . 0.0 110.678 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -65.93 -45.14 82.93 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.268 -0.173 . . . . 0.0 111.196 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -58.81 -40.76 85.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.835 0.826 . . . . 0.0 109.586 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -63.92 -51.07 66.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.423 -1.262 . . . . 0.0 110.75 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 104' ' ' SER . 75.3 t -58.32 -49.9 80.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.816 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.35 -41.29 84.34 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.559 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 114' ' ' ILE . 66.0 tttm -58.6 -51.7 68.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 110.635 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -75.36 -31.3 60.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.89 -37.12 85.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.008 0.432 . . . . 0.0 110.317 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.2 m -71.62 -27.99 63.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.779 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 110' ' ' LYS . 85.2 mt -70.96 -51.25 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.542 HG23 ' HA ' ' A' ' 120' ' ' LEU . 14.9 p -66.77 -31.64 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.707 -176.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.2 p -78.94 -35.69 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.84 0.352 . . . . 0.0 111.579 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.2 m -86.44 -44.77 11.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.685 -177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.22 -15.4 32.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.05 -175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.5 168.41 30.05 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 39.5 tp -59.18 -49.78 91.16 Favored Pre-proline 0 CA--C 1.535 0.379 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 14.7 Cg_endo -57.33 -23.72 56.23 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.401 2.068 . . . . 0.0 113.037 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.66 -43.68 25.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.262 177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 90' ' ' LEU . 30.7 tp -58.61 -50.48 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.391 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 97' ' ' ILE . 77.8 t -61.75 -43.74 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.88 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 121' ' ' PRO . 1.9 t70 -60.41 -44.16 96.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.535 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.38 97.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.141 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.34 -49.85 72.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.542 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.586 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 59.3 t -68.8 -34.49 64.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.034 0.445 . . . . 0.0 111.257 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -68.13 -31.96 71.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.0 p -50.11 131.82 23.41 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.331 0.586 . . . . 0.0 112.356 -171.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.98 -32.26 73.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.049 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.43 -51.67 61.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.337 176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.539 ' HA ' ' HD1' ' A' ' 137' ' ' PHE . 55.5 t80 -64.98 -52.74 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.97 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.17 -42.94 99.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -172.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.79 -41.73 18.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -77.39 -33.11 55.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.753 0.311 . . . . 0.0 111.28 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.539 ' HD1' ' HA ' ' A' ' 133' ' ' TYR . 91.6 m-85 -102.95 -41.33 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.247 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 120.39 135.91 5.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.079 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.95 -7.89 47.8 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.218 0.533 . . . . 0.0 111.147 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -106.55 -14.14 15.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.026 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 18.5 m -90.09 142.64 27.52 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.811 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.2 130.28 91.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.463 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 48.8 Cg_exo -54.86 111.82 0.85 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.924 2.416 . . . . 0.0 112.313 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -119.05 164.74 15.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.458 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 73.2 mt -68.14 93.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.985 0.422 . . . . 0.0 110.762 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.537 ' HD3' ' CD2' ' A' ' 137' ' ' PHE . 74.0 ttt180 -113.27 13.84 19.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.61 0.719 . . . . 0.0 109.677 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.667 ' HA3' ' HB2' ' A' ' 100' ' ' ARG . . . -87.35 84.37 1.54 Allowed Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.439 176.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.29 -73.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.024 0.44 . . . . 0.0 111.751 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -167.55 159.47 12.19 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 -174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -91.13 126.44 36.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -106.13 -25.47 12.01 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.838 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -80.05 70.25 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.376 0.608 . . . . 0.0 110.76 175.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -118.95 42.21 2.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.717 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -72.83 127.35 32.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.615 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 119.01 -0.519 . . . . 0.0 109.954 178.228 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.478 0.581 0 N-CA-C 110.522 -0.607 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -151.36 151.85 32.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.474 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -130.83 -52.03 1.05 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.06 96.52 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -105.77 -33.36 8.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -71.85 111.58 7.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.035 0.445 . . . . 0.0 110.634 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -96.19 13.23 28.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.06 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.1 125.18 53.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.032 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.85 -72.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.076 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 54.16 -156.55 0.21 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.252 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 68.91 105.98 0.05 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.397 0.617 . . . . 0.0 112.263 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -115.29 8.61 15.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.079 173.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -66.86 155.24 38.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.732 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' HB3' HG13 ' A' ' 28' ' ' VAL . 78.4 m-85 -65.09 104.99 0.97 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.155 0.502 . . . . 0.0 111.092 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -133.56 138.4 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.587 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 tpp -82.33 86.63 6.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HE3' HD21 ' A' ' 20' ' ' LEU . 53.4 pttt -117.07 136.1 23.24 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -177.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 44.9 Cg_exo -57.62 120.12 7.82 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.708 2.272 . . . . 0.0 111.483 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.81 -21.67 4.17 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 HD21 ' HE3' ' A' ' 17' ' ' LYS . 83.5 mt -79.59 148.55 31.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.627 0.251 . . . . 0.0 110.407 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -84.51 171.18 12.74 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.84 -22.47 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.677 0.275 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.62 -50.42 37.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.7 mp0 -61.9 -45.08 95.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.299 177.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -58.45 -38.38 77.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.934 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -58.62 -44.37 89.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.11 77.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.355 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 14' ' ' TYR . 87.2 t -62.0 -52.89 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 110.74 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG21 ' HG3' ' A' ' 53' ' ' GLU . 38.8 mt -67.48 -35.77 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.482 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.29 -44.6 88.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.961 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.92 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.729 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 29' ' ' ILE . 46.8 m-85 -59.57 -40.37 87.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.015 177.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -67.88 -52.04 41.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.038 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.17 -32.73 74.03 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.562 ' HA ' ' NE2' ' A' ' 96' ' ' HIS . 58.2 mt -91.38 -43.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.412 ' HE2' HD13 ' A' ' 70' ' ' LEU . 79.8 m-85 -107.77 -31.87 7.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 64.27 15.31 9.33 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.041 0.448 . . . . 0.0 110.93 -172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 61.16 86.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.594 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -132.98 11.56 4.27 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 167.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.652 HD12 HD13 ' A' ' 49' ' ' ILE . 10.3 pt -84.39 150.36 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.938 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -156.55 -169.7 3.1 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.089 -174.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 23.9 pttm -58.63 100.47 0.07 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.682 0.754 . . . . 0.0 110.858 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 172.67 -38.15 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.353 -1.294 . . . . 0.0 107.797 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -103.6 -70.83 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.316 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.8 t 56.8 -84.5 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.894 0.878 . . . . 0.0 113.315 170.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.29 -34.0 77.12 Favored 'General case' 0 C--O 1.227 -0.086 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 -171.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.6 m -66.59 -26.37 67.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.511 . . . . 0.0 110.333 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.652 HD13 HD12 ' A' ' 41' ' ' ILE . 67.4 mt -73.79 -54.43 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.383 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.5 -31.33 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.03 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 70.5 t80 -58.44 -56.68 19.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.083 176.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.76 -37.06 85.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 -178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG3' HG21 ' A' ' 29' ' ' ILE . 35.3 tt0 -57.56 -46.79 83.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 t -67.74 -38.36 83.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 17.7 mm100 -62.43 -41.2 98.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.777 0.323 . . . . 0.0 111.214 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.37 -25.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.84 0.352 . . . . 0.0 110.744 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -68.63 -43.48 76.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.005 0.431 . . . . 0.0 110.209 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -73.01 -37.45 66.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.456 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.05 17.42 7.31 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.817 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -36.76 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.476 0.655 . . . . 0.0 109.437 175.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -128.95 149.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.192 174.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.3 t -89.84 -179.85 5.82 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 38.3 tpp -64.24 -28.25 69.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.087 0.47 . . . . 0.0 109.738 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.768 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 80.1 tttt -57.43 -46.36 83.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.459 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 4.3 mp0 -74.84 -39.14 61.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 36.4 t80 -60.17 -56.93 15.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG22 HD11 ' A' ' 36' ' ' ILE . 89.0 t -61.96 -43.45 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 21.4 ttp180 -61.45 -43.6 98.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.344 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -71.44 -33.51 69.44 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 77.2 mt -69.76 -40.16 76.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.783 0.325 . . . . 0.0 110.619 177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -73.73 -21.28 60.26 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 62.7 pttt -108.57 20.43 18.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.103 0.478 . . . . 0.0 110.476 177.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -73.51 157.73 87.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.593 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -25.41 70.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.469 2.113 . . . . 0.0 111.974 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.9 tp -72.2 -46.43 56.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 120' ' ' LEU . 10.7 t80 -70.31 -20.01 63.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.397 0.618 . . . . 0.0 109.787 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 77' ' ' ARG . 31.6 ttt180 -80.8 -41.67 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.225 176.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 62.7 mmtt -76.13 -41.51 49.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -90.04 174.32 7.71 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 169.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.645 ' HE1' ' HB3' ' A' ' 92' ' ' LEU . 77.0 t80 65.89 -70.71 0.09 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.41 -29.42 64.89 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.787 0.435 . . . . 0.0 111.625 -173.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.61 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 9.9 tp10 -88.27 -53.96 0.35 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 24.1 Cg_exo -64.09 -33.71 60.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 122.054 1.836 . . . . 0.0 112.824 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -105.34 157.69 17.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.085 -179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.6 tt -77.06 149.39 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.246 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -52.18 -38.7 58.55 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.1 p -59.97 -49.88 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.977 0.417 . . . . 0.0 110.848 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -67.68 -35.96 79.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.132 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.815 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.483 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 25.0 tp -57.13 -44.22 83.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.306 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' HG2' ' HG3' ' A' ' 102' ' ' PRO . 35.7 mt-10 -59.13 -49.07 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.645 178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 5.4 tt -64.53 -40.28 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.31 -46.05 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 13.7 m-85 -57.9 -38.2 75.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.479 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.529 ' O ' HD22 ' A' ' 145' ' ' LEU . 39.4 ttm180 -83.21 -18.04 40.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.566 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.562 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 3.2 t-160 -85.59 -30.15 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.918 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 127' ' ' LEU . 74.2 mt -102.24 -47.88 11.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.91 0.386 . . . . 0.0 111.227 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.554 HD11 HD22 ' A' ' 127' ' ' LEU . 52.3 mt -100.18 -17.29 17.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.312 -175.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 66.89 18.32 68.48 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.804 -175.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 100' ' ' ARG . 5.1 tpp180 -97.8 -79.51 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.948 0.404 . . . . 0.0 111.45 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' A' ' 94' ' ' PHE . . . 105.16 143.69 12.14 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -172.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HG3' ' HG2' ' A' ' 91' ' ' GLU . 14.0 Cg_endo -55.76 116.83 3.44 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.979 2.453 . . . . 0.0 112.574 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 t -115.07 -21.58 9.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.003 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 m -128.07 147.41 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.698 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -69.49 -35.95 76.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.681 0.276 . . . . 0.0 110.302 -177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.2 -44.49 97.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.3 -49.49 76.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.552 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' SER . 61.8 t -57.41 -56.49 14.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.817 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.58 -37.69 79.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.844 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -57.44 -57.62 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 110.911 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -78.43 -25.54 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.73 -175.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -62.37 -39.66 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.04 0.448 . . . . 0.0 109.893 175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -66.64 -34.04 76.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.381 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.4 mt -66.12 -48.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.596 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -73.52 -20.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.5 t -79.46 -23.86 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.858 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.7 p -99.74 -63.49 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.782 0.325 . . . . 0.0 111.596 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -87.68 -6.77 76.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.613 -175.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.45 -167.12 42.55 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.613 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.563 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 54.1 tp -58.66 -49.8 91.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 10.2 Cg_endo -51.63 -41.64 60.26 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.433 2.088 . . . . 0.0 112.908 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.83 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.7 0.286 . . . . 0.0 110.81 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.77 -50.87 69.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.609 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 71' ' ' ALA . 80.8 t -57.73 -48.01 84.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.769 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.6 -47.08 86.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.01 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -57.52 -37.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 111.611 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -74.46 -45.02 49.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.576 -178.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 42.5 t -83.15 -37.37 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.583 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 34.3 t70 -77.71 -22.49 50.34 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -172.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.5 p -58.7 149.01 27.27 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.155 0.502 . . . . 0.0 111.716 -175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -71.63 -38.99 70.71 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.495 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.95 -58.08 9.06 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.331 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 30.5 m-85 -74.01 -23.11 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.868 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.99 -53.95 49.23 Favored 'General case' 0 CA--C 1.522 -0.104 0 O-C-N 123.49 0.494 . . . . 0.0 111.152 178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -82.85 -22.41 34.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.821 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 87.2 t80 -64.93 -52.72 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.699 0.285 . . . . 0.0 110.8 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 98' ' ' LEU . 83.3 m-85 -87.08 -40.93 14.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.995 0.426 . . . . 0.0 110.678 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 100.97 102.67 2.57 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.768 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 8.3 pt-20 -69.45 -4.47 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.037 0.446 . . . . 0.0 111.874 -176.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -89.4 -26.77 20.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.93 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 11.4 m -97.57 157.4 16.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.618 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.7 t -72.85 121.86 86.12 Favored Pre-proline 0 C--N 1.327 -0.382 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.23 104.55 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.88 2.387 . . . . 0.0 112.258 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -81.52 136.3 35.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.444 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 95' ' ' ARG . 55.6 mt -79.37 105.9 11.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.685 -176.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -84.99 75.43 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.374 0.607 . . . . 0.0 109.823 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.7 -178.5 36.59 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.341 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.62 149.82 44.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.863 0.332 . . . . 0.0 110.456 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.99 117.15 18.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.388 0.613 . . . . 0.0 110.623 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -150.71 62.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.602 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -162.31 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.767 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -101.8 -45.62 5.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.152 0.501 . . . . 0.0 110.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.559 ' O ' ' HB2' ' A' ' 154' ' ' HIS . 23.6 t-80 66.05 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.989 -166.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . 0.559 ' HB2' ' O ' ' A' ' 153' ' ' HIS . 37.2 t-80 170.02 126.95 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 O-C-N 123.715 0.634 . . . . 0.0 110.085 174.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.652 173.187 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 N--CA 1.479 0.664 0 N-CA-C 111.017 -0.416 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -112.35 -10.42 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.334 0.588 . . . . 0.0 109.707 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -86.19 97.86 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.255 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -112.25 -32.9 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.276 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -141.85 23.21 2.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -111.72 101.6 9.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.331 -1.304 . . . . 0.0 110.363 -170.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.5 62.28 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.279 0.561 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.77 -43.34 10.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.0 91.25 3.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.602 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -116.4 89.07 3.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 11' ' ' ARG . 23.6 mmt180 -136.17 178.32 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.336 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -121.43 -177.38 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.245 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -80.04 129.55 34.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -94.41 116.94 29.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 111.193 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.8 133.01 37.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.84 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 56' ' ' VAL . 43.6 ttm -102.43 114.77 29.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.916 0.389 . . . . 0.0 110.34 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.518 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 7.7 ptmm? -134.08 148.96 70.18 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.018 -176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 38.7 Cg_exo -58.25 117.32 4.02 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.916 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.24 -19.04 5.46 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.031 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.518 ' HG ' ' HG2' ' A' ' 17' ' ' LYS . 86.6 mt -76.96 155.64 32.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.427 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 39.6 t -73.73 157.99 35.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.898 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.46 -36.21 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.889 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.93 -42.64 99.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.3 mm-40 -64.45 -45.36 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.974 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 29' ' ' ILE . 98.6 mttt -62.18 -47.06 86.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.513 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.62 -33.79 74.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.642 0.258 . . . . 0.0 111.166 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.78 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.342 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 24' ' ' GLU . 83.8 t -65.12 -42.56 94.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.504 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 53' ' ' GLU . 61.1 mt -62.73 -42.07 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.499 178.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -61.57 -42.27 98.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.383 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 35' ' ' GLN . . . -62.7 -39.82 95.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.731 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.38 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -61.84 -50.73 71.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.282 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 45.8 mtp85 -63.37 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.075 -178.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 31' ' ' ALA . 11.0 mm100 -80.56 -38.16 30.05 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.532 HD11 HG22 ' A' ' 67' ' ' VAL . 51.9 mt -89.18 -45.6 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -176.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -96.45 -21.88 17.47 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.465 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 46.5 mt-10 61.41 22.09 12.56 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -178.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -149.5 148.7 29.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.862 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -82.0 97.79 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.565 0.697 . . . . 0.0 110.705 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.9 pt -84.22 145.08 8.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.187 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.8 t -154.99 -153.4 0.45 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.915 -173.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.13 93.41 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.629 0.728 . . . . 0.0 111.461 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 177.73 -31.58 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.23 -1.35 . . . . 0.0 107.845 -177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HB2' HD11 ' A' ' 49' ' ' ILE . 19.5 m-85 -124.75 28.54 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.89 175.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' GLN . 23.2 t -67.14 179.41 1.19 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.431 -172.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' SER . 8.3 tt0 70.54 -60.41 0.5 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.196 -170.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.9 m -62.21 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.84 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 45' ' ' TYR . 68.5 mt -61.38 -53.97 41.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 p -66.28 -29.78 70.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.794 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 41.8 t80 -60.65 -57.16 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.25 -37.1 86.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.458 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' HG3' HG21 ' A' ' 29' ' ' ILE . 24.2 tt0 -55.14 -57.54 11.34 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.478 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 57' ' ' ARG . 19.5 p -61.43 -30.06 70.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 25.8 mt-30 -61.18 -54.22 47.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG22 ' SD ' ' A' ' 16' ' ' MET . 11.6 p -75.42 -32.91 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.196 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' HA ' ' A' ' 54' ' ' SER . 67.0 ttt180 -61.64 -28.65 69.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.626 -178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -101.23 4.78 42.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 111.204 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.0 30.41 65.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.405 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -85.73 -27.91 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 47.3 pt -132.33 145.54 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.438 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.7 m -72.24 167.11 21.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.45 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.563 ' SD ' HG22 ' A' ' 142' ' ' VAL . 0.0 OUTLIER -53.76 -39.96 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HB2' ' HB2' ' A' ' 139' ' ' GLU . 79.9 tttt -47.79 -51.8 21.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.299 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.709 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 62.3 mm-40 -69.15 -33.66 73.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -62.25 -45.67 92.28 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 HD11 ' A' ' 36' ' ' ILE . 69.7 t -62.34 -47.17 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.624 176.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 84.1 mtp180 -55.87 -50.94 69.24 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -76.28 -23.21 54.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.913 -173.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 70' ' ' LEU . 18.9 mt -71.77 -47.59 52.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.5 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -82.0 -4.29 56.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.051 0.453 . . . . 0.0 111.159 -178.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -106.69 4.31 27.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.271 0.558 . . . . 0.0 109.894 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.4 p -75.73 161.73 74.92 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -176.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 55.5 Cg_exo -53.8 -30.55 57.68 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.773 2.316 . . . . 0.0 112.377 175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.73 -48.88 77.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -75.4 -23.48 57.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.184 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.254 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 74' ' ' PRO . 14.3 mmmm -89.56 -64.76 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 80' ' ' PHE . 79.3 mt-30 -71.37 162.62 29.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 81.3 m-85 69.03 -56.18 0.54 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.682 0.613 . . . . 0.0 111.828 -175.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -71.72 -41.19 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' N ' ' HD2' ' A' ' 83' ' ' PRO . 38.6 tt0 -83.28 -52.67 0.61 Allowed Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 82' ' ' GLU . 31.6 Cg_endo -65.11 -10.35 25.31 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.102 1.868 . . . . 0.0 113.336 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.97 -174.62 3.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.972 0.415 . . . . 0.0 110.489 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 tp -104.55 155.64 6.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.852 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -50.72 -45.23 58.45 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.869 0.468 . . . . 0.0 111.456 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -62.54 -29.59 70.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.643 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -81.19 -42.82 20.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.038 0.447 . . . . 0.0 110.022 -178.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -65.93 -28.64 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.631 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.92 -53.68 55.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.65 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.43 -29.21 68.63 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 89' ' ' ALA . 87.4 mt -63.26 -45.6 90.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.69 -50.44 72.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.914 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.21 -59.84 3.76 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.438 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 54.3 mtm180 -65.35 -41.72 93.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.105 -173.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.707 ' HA ' HD21 ' A' ' 145' ' ' LEU . 3.1 t60 -80.59 -30.86 36.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.932 -171.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.74 -43.45 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.996 -0.281 . . . . 0.0 111.351 -177.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.2 mt -86.77 -16.69 35.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.225 -176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.22 15.5 81.11 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.129 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.539 ' O ' ' HA ' ' A' ' 95' ' ' ARG . 41.7 ttp180 -146.88 156.38 43.05 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.408 ' HA2' ' HG2' ' A' ' 95' ' ' ARG . . . -82.45 159.87 39.22 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.954 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -62.06 128.62 24.6 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.659 2.239 . . . . 0.0 111.648 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 p -102.11 -42.31 6.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.625 -172.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.406 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 47.9 m -108.92 136.88 47.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.392 . . . . 0.0 111.224 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.51 -41.17 93.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.936 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -71.94 -22.64 61.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' O ' ' HD1' ' A' ' 111' ' ' TYR . 5.8 tp10 -67.52 -46.37 73.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.13 -48.73 85.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.433 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -66.59 -27.11 67.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.521 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 114' ' ' ILE . 2.5 ttmp? -62.4 -58.77 6.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.287 0.565 . . . . 0.0 110.028 175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.542 ' HA ' HD12 ' A' ' 114' ' ' ILE . 82.4 m-85 -68.49 -22.14 64.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.206 -176.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -65.89 -42.25 90.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.174 0.511 . . . . 0.0 109.757 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.8 t -67.17 -36.99 82.98 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 111' ' ' TYR . 79.1 mt -62.25 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.113 178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 120' ' ' LEU . 8.5 p -67.92 -21.9 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.791 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.8 m -80.06 -46.36 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.792 0.329 . . . . 0.0 111.231 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.9 p -85.96 -49.1 8.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.853 0.358 . . . . 0.0 111.813 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -35.36 22.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.951 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.96 178.93 19.16 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.197 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.525 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 55.4 tp -60.15 -51.78 77.94 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 19.4 Cg_endo -60.47 -27.74 85.41 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.016 1.811 . . . . 0.0 112.526 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.33 -42.78 71.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.703 0.287 . . . . 0.0 110.459 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 tp -56.14 -54.64 42.65 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.571 177.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 71' ' ' ALA . 97.2 t -60.27 -45.01 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.46 -47.04 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.66 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.92 74.01 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.622 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.92 -45.99 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.449 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 t -84.21 -22.82 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.137 0.494 . . . . 0.0 111.259 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -70.78 -21.52 62.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -52.27 122.1 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.69 -32.67 74.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.274 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.62 -40.7 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.912 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -65.0 -47.56 77.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.393 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.86 80.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.361 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -73.16 -26.31 61.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.4 ' HD2' ' HD1' ' A' ' 137' ' ' PHE . 87.4 t80 -57.76 -52.14 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.152 -175.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.678 ' HD2' ' HB ' ' A' ' 141' ' ' THR . 31.6 p90 -130.96 5.56 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.584 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 90.67 152.54 27.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.786 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.718 ' HB2' ' HB2' ' A' ' 64' ' ' LYS . 10.7 pt-20 -90.44 5.2 48.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.872 0.367 . . . . 0.0 110.598 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.51 -7.07 18.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.783 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.678 ' HB ' ' HD2' ' A' ' 137' ' ' PHE . 28.8 m -96.67 146.0 25.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.419 0.152 . . . . 0.0 110.911 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.563 HG22 ' SD ' ' A' ' 63' ' ' MET . 61.5 t -73.81 123.8 89.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.499 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.81 122.35 10.38 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.611 2.207 . . . . 0.0 111.726 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -120.92 143.16 49.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.125 0.488 . . . . 0.0 111.41 -178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.707 HD21 ' HA ' ' A' ' 96' ' ' HIS . 88.9 mt -68.68 105.89 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -153.66 -77.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.313 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 63.26 -98.68 0.24 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -168.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 33.9 tp 71.85 156.57 0.17 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.645 0.736 . . . . 0.0 112.251 169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.33 170.18 15.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.744 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -96.7 85.17 3.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.756 -174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.9 p-80 -85.55 -179.53 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -61.22 108.17 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -107.62 89.62 3.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.397 0.618 . . . . 0.0 112.65 -169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -165.12 113.64 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.787 167.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 13.1 t60 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.59 -177.431 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.479 0.625 0 N-CA-C 110.675 -0.548 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -104.02 148.91 25.68 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -109.79 102.89 11.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.32 0.581 . . . . 0.0 111.039 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -91.23 -5.08 55.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.012 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -97.82 109.66 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.837 177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -83.42 -56.24 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.72 138.06 13.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.599 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.39 -154.87 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.618 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 71.25 92.12 0.09 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.8 0.688 . . . . 0.0 111.061 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -100.44 105.71 17.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.711 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -88.31 85.85 6.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.28 0.562 . . . . 0.0 110.358 177.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.552 ' HG2' ' HG3' ' A' ' 13' ' ' LYS . 8.5 tt0 -140.85 137.47 33.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.107 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' HG3' ' HG2' ' A' ' 12' ' ' GLN . 45.0 mtmt 66.77 152.13 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.634 0.774 . . . . 0.0 112.232 178.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 28' ' ' VAL . 39.0 m-85 -75.33 91.66 2.72 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 169.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 140' ' ' GLU . . . -143.56 141.11 30.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.312 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.02 115.33 8.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -114.17 151.99 45.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.414 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.55 68.66 3.58 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.912 2.408 . . . . 0.0 112.402 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.53 36.47 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.749 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.3 mt -89.08 136.73 32.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.603 -0.351 . . . . 0.0 110.215 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -73.14 163.04 28.72 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.94 76.03 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.97 -35.94 79.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.056 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -69.19 -43.95 73.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 179.011 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HD3' ' HA ' ' A' ' 57' ' ' ARG . 38.5 ttmt -62.78 -39.98 95.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.224 177.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.45 -40.1 93.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.227 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.8 83.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.448 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 24' ' ' GLU . 61.7 t -67.71 -45.14 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG21 ' HG3' ' A' ' 53' ' ' GLU . 54.4 mt -69.93 -39.77 77.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.778 -178.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -59.17 -41.91 89.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.39 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.12 86.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.773 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 -50.34 70.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.548 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.495 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . 29.8 m-85 -54.62 -43.2 72.03 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 42.3 ttm180 -65.54 -39.71 92.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.402 -173.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -88.75 -13.93 38.35 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.248 -0.581 . . . . 0.0 111.644 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.56 HD11 HG22 ' A' ' 67' ' ' VAL . 66.3 mt -92.53 -58.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.724 176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -125.1 26.81 6.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.48 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 11.7 pt-20 46.08 33.29 1.65 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.779 0.832 . . . . 0.0 111.845 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' ' HB3' ' A' ' 33' ' ' TYR . 0.2 OUTLIER 54.41 -97.92 0.07 Allowed 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.561 179.178 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.455 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 31.2 t70 34.49 -108.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.511 0.725 . . . . 0.0 111.988 -170.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' ARG . 38.3 pt 47.92 121.57 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.787 1.635 . . . . 0.0 114.534 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -81.33 162.22 23.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.487 174.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -78.89 8.05 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 -176.531 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.24 -19.25 54.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.506 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.82 174.48 6.84 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 p -56.15 122.43 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.088 0.47 . . . . 0.0 111.844 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.15 -21.9 65.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.066 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 31.0 t -55.33 -28.87 56.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.332 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.69 -42.3 92.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.211 0.529 . . . . 0.0 110.344 178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' GLU . 5.6 t -76.14 -24.15 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.812 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.23 -36.34 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' SER . 95.1 mt -61.13 -38.36 86.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.077 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HG3' HG21 ' A' ' 29' ' ' ILE . 10.7 tt0 -56.0 -45.6 78.99 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.397 174.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 m -62.87 -38.57 91.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -67.48 -45.0 77.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.144 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -73.11 -22.87 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 0.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.691 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 28.8 mtp180 -68.59 -42.39 78.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.693 173.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -68.31 -34.72 76.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.126 0.488 . . . . 0.0 110.795 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.69 13.14 35.64 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.78 -54.22 17.18 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.638 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 42.0 pt -104.6 139.97 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.007 172.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 139' ' ' GLU . 63.1 m -91.71 -177.95 4.92 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' HG22 ' A' ' 142' ' ' VAL . 19.6 mmt -65.65 -21.17 66.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.302 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 134' ' ' ALA . 15.3 tptt -59.17 -47.27 85.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.051 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' ' HB ' ' A' ' 61' ' ' ILE . 2.3 mp0 -71.38 -47.31 56.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.699 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.9 -54.58 44.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 36' ' ' ILE . 70.6 t -60.38 -47.83 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 111.099 179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 21.2 ttp180 -61.92 -39.3 91.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.745 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.4 -34.56 61.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.188 -0.32 . . . . 0.0 111.52 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.51 -36.81 76.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.425 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 9.7 mtmp? -91.91 8.4 37.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.271 177.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.2 m -74.66 144.28 80.14 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.74 -36.58 62.49 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.33 2.687 . . . . 0.0 113.116 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.63 -52.15 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.915 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -65.24 -42.3 93.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.278 0.561 . . . . 0.0 109.941 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HA ' HD23 ' A' ' 120' ' ' LEU . 40.7 ttt180 -61.0 -47.57 85.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.206 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 82' ' ' GLU . 85.2 tttt -72.74 -19.93 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.717 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -96.37 -49.1 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -93.12 -17.98 23.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.46 ' HB2' HD22 ' A' ' 120' ' ' LEU . 92.7 t80 -117.58 -54.5 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.464 -0.495 . . . . 0.0 112.074 -176.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 78' ' ' LYS . 6.3 tp10 -49.74 -53.8 38.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -170.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 88.1 Cg_endo -91.96 14.83 1.72 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.027 1.818 . . . . 0.0 113.117 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -123.18 161.22 24.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.509 HG13 ' HG3' ' A' ' 88' ' ' ARG . 13.9 pt -74.4 144.92 11.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.886 173.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -62.56 -23.52 67.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.5 p -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.741 0.305 . . . . 0.0 111.486 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.509 ' HG3' HG13 ' A' ' 85' ' ' ILE . 73.7 mtp180 -89.25 -42.37 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.446 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -62.15 -30.24 70.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 94' ' ' PHE . 37.6 tp -55.95 -51.01 69.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -69.77 -33.26 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.513 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 89' ' ' ALA . 97.4 mt -60.1 -41.46 92.61 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.0 72.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.624 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' HD1' ' O ' ' A' ' 90' ' ' LEU . 27.6 m-85 -59.07 -39.95 83.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -66.15 -35.81 81.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.724 0.297 . . . . 0.0 111.368 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.408 ' NE2' ' HA ' ' A' ' 36' ' ' ILE . 1.7 t-160 -87.08 -24.14 24.67 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.501 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 124' ' ' VAL . 80.5 mt -100.33 -46.01 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.594 -177.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 mt -105.31 -18.97 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -174.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.48 18.02 78.36 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.614 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' PHE . 6.3 mtm180 -149.78 178.06 9.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.424 0.29 . . . . 0.0 110.268 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.83 159.24 14.5 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.999 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.5 ' HB2' HG22 ' A' ' 108' ' ' VAL . 2.2 Cg_endo -79.34 98.22 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.844 2.363 . . . . 0.0 111.923 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -83.42 -22.74 32.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 108' ' ' VAL . 14.5 m -85.9 121.75 28.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.262 177.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -60.22 -33.67 72.58 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 mp0 -58.87 -46.47 87.73 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.118 0.485 . . . . 0.0 110.051 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.19 -36.15 83.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.92 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG22 ' HB2' ' A' ' 102' ' ' PRO . 69.2 t -61.42 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.302 177.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.71 -36.9 75.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.66 -60.08 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.156 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 83.6 m-85 -79.7 -20.92 45.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.31 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.05 -41.93 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.4 m -67.95 -39.77 83.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.296 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.1 mt -67.04 -42.38 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.102 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 9.9 p -76.06 -21.31 15.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.401 . . . . 0.0 110.746 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -80.0 -48.54 13.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.572 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 m -84.09 -45.44 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 111.362 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.78 -66.06 1.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.97 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.65 -170.46 23.06 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.14 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 54.4 tp -66.53 -51.54 40.87 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 119.399 -0.334 . . . . 0.0 111.694 -178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 51.2 Cg_exo -55.11 -41.08 82.2 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.809 1.673 . . . . 0.0 112.53 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.78 98.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.778 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 64.8 tp -61.12 -49.42 77.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.591 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 71' ' ' ALA . 93.9 t -57.96 -49.73 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.95 -41.48 87.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.897 -177.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.43 76.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.877 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.71 -43.24 99.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.918 0.389 . . . . 0.0 111.392 -177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.413 ' HB ' ' HD3' ' A' ' 68' ' ' ARG . 31.7 t -76.81 -21.82 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -80.71 -39.36 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.855 -175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 65.4 p -56.42 132.67 51.82 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.59 -177.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HA ' ' HB3' ' A' ' 134' ' ' ALA . 14.1 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -174.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 136' ' ' TYR . 16.0 mm-40 -56.25 -54.48 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -82.32 -22.95 35.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 110.635 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.741 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.66 -54.0 42.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.254 175.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -74.9 -43.74 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.625 -175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.579 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -58.86 -54.74 43.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.319 -175.011 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -76.72 -22.62 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.949 0.404 . . . . 0.0 110.725 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.5 173.38 49.79 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.805 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 62' ' ' SER . 15.1 pt-20 -102.07 -25.11 13.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.855 0.36 . . . . 0.0 110.574 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -82.09 -32.51 30.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -176.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 13' ' ' LYS . 19.8 m -82.67 137.05 34.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.994 -171.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.431 HG22 ' HG3' ' A' ' 63' ' ' MET . 6.5 t -80.68 131.42 60.89 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 171.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -65.72 87.58 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.737 2.291 . . . . 0.0 112.851 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -114.03 148.04 37.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.119 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 pp -102.07 1.53 36.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.697 0.284 . . . . 0.0 111.259 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 73.88 -41.49 0.49 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.748 0.819 . . . . 0.0 112.54 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -54.51 101.97 0.12 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.991 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.9 tp -93.1 -36.79 12.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.468 0.651 . . . . 0.0 110.12 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.38 147.74 52.39 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.037 -178.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -138.52 155.79 48.09 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 168.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -78.71 88.63 4.59 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.888 0.852 . . . . 0.0 110.583 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -98.48 156.14 16.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.066 -1.425 . . . . 0.0 108.635 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -63.29 120.83 12.32 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 70.3 t60 69.14 103.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.983 0.802 . . . . 0.0 109.94 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.444 -175.809 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 C--O 1.232 0.176 0 N-CA-C 110.691 -0.542 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -81.32 108.18 14.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.225 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p 51.38 -152.77 0.2 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.883 0.74 . . . . 0.0 111.351 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -129.81 161.32 31.02 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -68.65 129.85 41.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.8 t30 67.44 66.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 124.051 0.844 . . . . 0.0 110.258 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.12 -37.02 9.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.388 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.81 27.49 16.81 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.43 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.96 -50.82 63.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.747 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.62 164.95 11.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.668 0.27 . . . . 0.0 110.605 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.627 ' NE ' ' HA ' ' A' ' 11' ' ' ARG . 2.7 mmp_? -122.06 -179.06 4.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.863 0.363 . . . . 0.0 111.676 -174.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 1.9 mp0 -83.68 -164.69 0.95 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 -177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 61.9 mttm 73.07 26.03 2.24 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.227 0.611 . . . . 0.0 110.907 -174.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -74.68 88.13 2.2 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.439 170.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -112.81 134.63 54.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.01 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.569 ' HG2' HG22 ' A' ' 56' ' ' VAL . 51.6 tpp -73.76 98.4 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.152 0.501 . . . . 0.0 109.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.542 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -135.7 143.38 44.52 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.326 -178.074 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 37.2 Cg_exo -58.6 116.83 3.53 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.559 2.173 . . . . 0.0 110.888 174.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.82 -19.59 3.31 Favored Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.82 145.01 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -75.64 170.69 15.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.84 98.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.675 0.274 . . . . 0.0 111.096 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.54 -23.48 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.0 111.282 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.71 -45.38 52.58 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' ILE . 95.6 mttt -62.85 -36.98 85.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.86 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 1.9 t30 -54.18 -43.56 70.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.754 173.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.08 92.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.738 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.09 -45.38 90.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.518 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 25' ' ' LYS . 46.1 mm -59.83 -47.85 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.874 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.73 -34.3 77.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.04 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.467 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.85 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -60.41 -41.82 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.738 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 38' ' ' GLU . 35.4 ttm180 -70.71 -20.09 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.641 -176.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 14.6 mm-40 -93.39 -44.61 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.39 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.19 -57.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.469 -175.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -84.19 -16.57 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.029 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 17.6 tt0 75.37 4.25 4.07 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.236 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -157.55 -179.1 7.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.153 0.502 . . . . 0.0 110.958 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.633 ' O ' HG12 ' A' ' 41' ' ' ILE . 6.2 p-10 -78.32 -17.12 56.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.496 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 40' ' ' ASP . 6.3 pt 60.33 156.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.024 1.329 . . . . 0.0 112.807 -178.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -115.05 176.12 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.031 -173.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 21.6 ttmm 65.43 -0.47 1.17 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.622 173.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 54.05 58.85 4.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.074 -170.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.537 ' HB2' HD12 ' A' ' 41' ' ' ILE . 39.1 m-85 -53.17 -31.08 40.89 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.581 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.774 ' HA ' ' HB ' ' A' ' 49' ' ' ILE . 14.4 m -59.47 97.74 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.091 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.828 ' HG3' ' H ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -101.9 -78.28 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 168.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.828 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 3.9 m -64.15 -27.98 69.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 170.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.774 ' HB ' ' HA ' ' A' ' 46' ' ' SER . 60.8 mt -61.54 -39.67 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.881 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -36.34 70.95 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.726 0.298 . . . . 0.0 110.499 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 84.1 t80 -60.89 -50.2 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.827 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 48' ' ' SER . 64.0 mt -59.34 -42.97 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.376 176.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -52.61 -48.42 66.33 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.983 177.293 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -77.19 -29.9 54.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.82 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 14.6 mm100 -64.73 -49.56 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 110.591 176.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG22 ' HG2' ' A' ' 16' ' ' MET . 8.4 p -70.2 -29.74 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 30.6 ttt180 -58.71 -39.9 82.13 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.646 177.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -82.7 -24.92 33.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.65 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.05 28.54 6.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.894 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.75 -45.39 58.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.049 0.452 . . . . 0.0 110.744 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 37.2 pt -115.4 165.3 10.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.3 p -84.42 163.7 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.097 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.403 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.8 tpt -66.84 -33.35 75.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.633 ' HE3' ' HA ' ' A' ' 129' ' ' ASP . 72.0 tttt -55.34 -54.27 45.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.687 175.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 31.3 mm-40 -64.53 -37.62 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.754 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 70' ' ' LEU . 38.2 t80 -56.93 -47.78 79.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.788 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 63' ' ' MET . 83.6 t -59.32 -42.83 88.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 70.8 mtp180 -59.04 -38.76 80.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 27.7 mmt180 -71.02 -42.48 69.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.687 -178.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD11 ' CE2' ' A' ' 66' ' ' PHE . 81.6 mt -63.64 -45.07 91.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.03 -177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' CB ' HG11 ' A' ' 124' ' ' VAL . . . -73.33 -24.49 60.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -177.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -84.24 -10.12 57.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.925 0.393 . . . . 0.0 110.683 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.8 m -61.89 139.84 95.64 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.629 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' A' ' 77' ' ' ARG . 8.7 Cg_endo -49.83 -33.42 32.92 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.89 3.06 . . . . 0.0 113.87 -174.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.05 -51.61 63.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.647 0.261 . . . . 0.0 110.722 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -71.4 -31.55 67.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.569 . . . . 0.0 109.626 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 74' ' ' PRO . 47.9 tpt85 -63.6 -30.9 71.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.421 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -85.49 -43.39 13.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.839 0.352 . . . . 0.0 110.715 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.83 166.19 19.93 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.653 ' HA ' ' HD2' ' A' ' 84' ' ' PHE . 98.7 m-85 67.78 -64.93 0.26 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.058 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -68.47 -26.73 65.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.522 -173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 1.9 tm-20 -98.01 -57.4 0.17 Allowed Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.698 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 7.6 Cg_exo -74.53 -21.94 16.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.378 2.052 . . . . 0.0 113.931 -172.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.653 ' HD2' ' HA ' ' A' ' 80' ' ' PHE . 98.8 m-85 -112.35 -179.48 3.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.988 0.423 . . . . 0.0 110.991 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 tt -96.31 152.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.671 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -47.09 -57.47 5.04 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.509 0.723 . . . . 0.0 112.512 -172.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -59.14 -35.83 74.18 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 28.5 mmm180 -75.75 -41.27 53.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.498 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.19 94.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.957 0.408 . . . . 0.0 110.044 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.493 HD12 HD21 ' A' ' 123' ' ' LEU . 40.4 tp -56.38 -51.58 67.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.761 176.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' HG3' ' HD2' ' A' ' 102' ' ' PRO . 41.6 tt0 -65.21 -41.91 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.282 -177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 90.9 mt -67.8 -32.3 72.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.756 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.85 87.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.837 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -57.58 -41.65 81.53 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.81 -33.39 75.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.548 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.8 -22.27 34.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 124' ' ' VAL . 83.8 mt -100.92 -57.14 4.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.027 0.441 . . . . 0.0 111.516 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.426 HD11 HD22 ' A' ' 127' ' ' LEU . 49.0 mt -100.38 -33.89 10.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.636 -176.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.48 -8.54 67.98 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -87.93 -55.48 3.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.015 0.436 . . . . 0.0 110.908 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.46 167.86 32.62 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.65 -179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.549 ' HB2' HG22 ' A' ' 108' ' ' VAL . 37.2 Cg_endo -67.07 119.36 6.38 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.437 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -96.25 -51.94 4.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.589 ' HB2' ' HB2' ' A' ' 107' ' ' GLU . 15.3 m -94.5 148.91 21.76 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.166 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 32.0 tpt180 -69.37 -40.68 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.594 0.235 . . . . 0.0 111.041 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.6 pm0 -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.147 0.499 . . . . 0.0 110.012 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 34.5 tt0 -61.54 -45.58 93.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 170.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 102' ' ' PRO . 60.7 t -56.39 -48.48 79.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.024 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 105' ' ' ARG . 27.6 mm-40 -56.2 -45.77 79.7 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.254 -177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 114' ' ' ILE . 60.4 tttm -55.72 -53.83 51.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.202 -178.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 107' ' ' GLU . 93.8 m-85 -79.34 -23.2 43.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.269 -175.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 108' ' ' VAL . 35.2 t80 -64.34 -42.09 96.43 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.5 t -63.81 -37.88 89.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.263 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 111' ' ' TYR . 84.5 mt -62.35 -50.65 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.089 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.492 ' HB ' HD22 ' A' ' 123' ' ' LEU . 14.3 p -73.06 -26.71 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.8 m -77.17 -29.64 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.219 -0.301 . . . . 0.0 111.611 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 p -97.68 -56.51 2.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.762 0.315 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.89 -17.84 69.15 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.552 -176.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.11 -172.44 38.32 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.549 ' HB3' ' HD3' ' A' ' 121' ' ' PRO . 53.4 tp -63.53 -50.13 74.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 120' ' ' LEU . 52.0 Cg_exo -55.37 -35.53 91.91 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.159 1.906 . . . . 0.0 113.053 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.85 -43.62 62.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.533 0.206 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 90' ' ' LEU . 45.9 tp -58.06 -52.94 63.46 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 97' ' ' ILE . 88.3 t -59.36 -47.75 89.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.051 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.35 -40.08 95.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -177.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' A' ' 130' ' ' SER . . . -60.27 -35.16 74.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.143 179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.426 HD22 HD11 ' A' ' 98' ' ' LEU . 95.1 mt -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.661 -178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 97' ' ' ILE . 40.0 t -76.67 -35.5 25.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -174.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.633 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 38.4 t70 -85.39 -13.5 49.2 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.179 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.55 ' HB2' ' O ' ' A' ' 126' ' ' ALA . 1.1 t -62.59 120.84 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -66.52 -28.62 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -167.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -69.95 -37.9 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.824 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.538 ' HD2' ' HB3' ' A' ' 130' ' ' SER . 30.9 m-85 -71.3 -43.21 67.55 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.202 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.2 -35.97 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -73.37 -55.16 6.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.735 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -81.58 -33.41 31.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.212 -174.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.0 131.66 5.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.419 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.88 -11.79 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.522 0.677 . . . . 0.0 110.097 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.75 -21.14 12.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.893 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 4.1 m -97.14 148.9 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.685 -171.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.56 132.64 95.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 167.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -24.92 105.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.805 3.67 . . . . 0.0 114.465 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -83.73 79.0 9.61 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.434 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.8 tp -82.77 106.67 14.8 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.284 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 146' ' ' ARG . 9.9 ttp180 -139.75 92.56 2.57 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.15 110.32 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.072 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -84.14 108.4 17.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -54.47 -52.53 61.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.87 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -143.49 157.85 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -62.49 -36.09 81.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.157 0.503 . . . . 0.0 109.688 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -103.14 83.3 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.195 172.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -132.93 103.79 6.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.62 37.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.479 176.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.092 179.324 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.481 0.766 0 N-CA-C 110.824 -0.491 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -63.98 -76.45 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.111 0.481 . . . . 0.0 110.332 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -148.94 82.07 1.44 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 173.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -169.03 129.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.457 -170.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -90.06 137.96 31.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.31 98.35 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 111.284 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.18 99.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.559 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.07 11.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.34 77.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.23 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -120.88 131.67 54.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.631 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 57.4 95.06 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.022 0.827 . . . . 0.0 111.49 -174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -65.6 150.8 47.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.323 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.633 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 113.39 25.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 -176.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.544 ' HB3' HG13 ' A' ' 28' ' ' VAL . 99.1 m-85 -85.92 109.15 18.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.435 -173.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 141' ' ' THR . . . -119.87 116.11 25.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.811 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 20' ' ' LEU . 41.1 ttm -81.2 86.26 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.522 0.677 . . . . 0.0 110.107 -178.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -88.38 154.1 51.21 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.168 -177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.38 93.46 0.3 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.47 2.113 . . . . 0.0 111.015 173.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.5 33.87 0.12 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.03 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 16' ' ' MET . 66.1 mt -118.15 140.44 49.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 178.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.0 m -73.56 170.04 16.01 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.76 92.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.634 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.22 -42.22 85.8 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.131 0.491 . . . . 0.0 110.764 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 8.1 mm-40 -65.41 -43.79 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.299 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' HG13 ' A' ' 29' ' ' ILE . 44.8 mttp -62.02 -45.32 94.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HA ' HD12 ' A' ' 29' ' ' ILE . 91.4 m-20 -53.13 -42.3 65.9 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.241 0.338 . . . . 0.0 111.298 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.46 99.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.973 0.416 . . . . 0.0 110.894 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 14' ' ' TYR . 45.7 t -67.23 -39.44 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.867 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 25' ' ' LYS . 68.7 mt -61.79 -42.4 94.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.26 0.553 . . . . 0.0 110.476 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -64.45 -32.8 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.508 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . -69.63 -30.88 68.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.905 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.17 -46.5 83.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.377 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -63.2 -33.24 75.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.284 0.564 . . . . 0.0 110.302 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 31' ' ' ALA . 7.9 tpm_? -63.33 -33.28 75.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.7 tp60 -105.3 -44.4 4.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.2 mm -71.8 -35.68 55.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.597 -174.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' HE2' HD22 ' A' ' 70' ' ' LEU . 63.6 m-85 -108.03 -29.14 9.15 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.954 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 62.29 29.61 17.37 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 40' ' ' ASP . 21.8 mmm180 65.86 -157.91 0.27 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.207 -175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER 72.43 9.16 5.79 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.21 0.529 . . . . 0.0 111.162 -176.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.407 HG12 ' H ' ' A' ' 41' ' ' ILE . 10.8 pt -80.43 151.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.284 171.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.764 HG23 ' HG3' ' A' ' 43' ' ' LYS . 14.3 t -158.69 -168.5 2.43 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.425 -0.51 . . . . 0.0 111.247 -169.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.764 ' HG3' HG23 ' A' ' 42' ' ' THR . 95.6 mttt 62.05 36.56 15.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.42 0.688 . . . . 0.0 111.093 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 66.92 2.34 2.64 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.058 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' HB3' HD12 ' A' ' 49' ' ' ILE . 6.5 m-85 72.81 -46.97 0.66 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.775 0.83 . . . . 0.0 110.955 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 63.7 m 81.57 101.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 166.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 54.17 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 163.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.0 m -52.54 -40.48 62.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.184 -172.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 45' ' ' TYR . 36.0 mt -65.79 -34.74 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.976 0.417 . . . . 0.0 110.824 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -77.3 -34.09 55.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.898 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -61.79 -45.0 95.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.845 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 48' ' ' SER . 87.2 mt -62.26 -38.93 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.627 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.53 -50.35 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.177 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.561 ' HA ' ' CG ' ' A' ' 57' ' ' ARG . 13.1 t -65.03 -38.38 90.7 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.66 -42.88 99.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.783 0.325 . . . . 0.0 111.512 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.14 -25.72 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.153 -176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.561 ' O ' ' HD2' ' A' ' 25' ' ' LYS . 6.2 ppt_? -74.79 -21.93 59.04 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 122.004 -0.435 . . . . 0.0 111.268 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.2 -14.86 25.13 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.159 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.05 32.31 17.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.861 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.08 -40.82 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.03 0.443 . . . . 0.0 110.511 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 31.8 pt -114.39 153.34 15.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.279 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.1 p -83.35 173.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mmt -63.84 -35.29 80.14 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.516 -178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -68.67 -28.86 67.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.166 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.767 ' HB3' HH21 ' A' ' 69' ' ' ARG . 45.4 mt-10 -77.54 -37.13 51.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.939 0.4 . . . . 0.0 110.13 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.579 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 18.7 t80 -64.02 -50.06 69.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.825 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -56.67 -47.35 82.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 176.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -57.79 -44.11 86.05 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.503 0.668 . . . . 0.0 110.484 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.767 HH21 ' HB3' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -69.38 -38.8 78.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 -179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 66' ' ' PHE . 83.2 mt -66.93 -36.01 81.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.97 -27.47 65.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.043 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 121' ' ' PRO . 47.1 mttp -81.79 6.72 14.65 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.0 p -77.99 149.37 76.71 Favored Pre-proline 0 C--O 1.24 0.556 0 CA-C-O 120.847 0.356 . . . . 0.0 110.743 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 17.1 Cg_endo -59.19 -30.3 92.71 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.511 2.141 . . . . 0.0 111.295 176.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 1.9 mm? -63.8 -51.93 62.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.113 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -63.49 -46.98 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.28 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 14.0 ptt180 -70.55 -25.37 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.224 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 74' ' ' PRO . 9.0 tmtt? -70.98 -43.61 67.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 0.0 110.007 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 76.3 mm-40 -75.08 -14.81 60.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -124.48 -46.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.517 ' HB2' HD22 ' A' ' 120' ' ' LEU . 53.6 t80 -78.71 -14.55 59.23 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.48 -172.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' ' HD3' ' A' ' 83' ' ' PRO . 32.7 tt0 -93.15 -59.32 0.21 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 82' ' ' GLU . 84.1 Cg_endo -80.53 3.01 8.07 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.999 1.799 . . . . 0.0 112.98 -174.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.414 ' HB3' ' HB3' ' A' ' 88' ' ' ARG . 81.1 m-85 -131.34 156.11 46.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.6 HG13 ' H ' ' A' ' 88' ' ' ARG . 33.0 pt -75.23 159.32 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -55.74 -31.03 62.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -69.88 -41.46 74.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.03 0.443 . . . . 0.0 110.624 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.6 ' H ' HG13 ' A' ' 85' ' ' ILE . 11.1 tpp180 -73.74 -38.96 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.05 89.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.692 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.553 HD23 HG13 ' A' ' 108' ' ' VAL . 22.4 tp -64.76 -46.27 82.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.906 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -54.03 -50.46 66.62 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.807 174.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 88' ' ' ARG . 96.4 mt -63.2 -38.58 91.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.99 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.17 -50.35 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.784 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.496 ' CE2' ' HG ' ' A' ' 90' ' ' LEU . 24.2 m-85 -59.96 -40.75 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.606 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.504 ' O ' ' HA2' ' A' ' 99' ' ' GLY . 28.1 ttm-85 -83.25 -14.94 52.14 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.633 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -96.83 -39.52 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.187 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.53 -34.82 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.968 0.413 . . . . 0.0 110.775 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.86 -40.49 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 95' ' ' ARG . . . 88.22 -22.91 16.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.968 -178.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 100' ' ' ARG . 19.4 ttt180 -66.1 -44.18 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.411 -0.394 . . . . 0.0 110.857 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.63 157.27 30.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.034 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.466 ' HB3' HG22 ' A' ' 108' ' ' VAL . 51.5 Cg_exo -55.16 125.05 17.85 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.385 2.724 . . . . 0.0 112.398 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.6 m -123.68 -26.24 4.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.918 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.0 m -129.28 148.21 51.19 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -60.3 -56.48 20.95 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.991 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -56.5 -38.49 71.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' O ' ' HD2' ' A' ' 111' ' ' TYR . 24.5 tt0 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.83 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.553 HG13 HD23 ' A' ' 90' ' ' LEU . 93.3 t -56.9 -47.66 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.917 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.25 -36.63 82.62 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.385 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -60.6 -52.7 64.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' HD2' ' O ' ' A' ' 107' ' ' GLU . 96.7 m-85 -76.67 -22.57 53.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.24 -176.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.19 -37.88 88.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.895 0.379 . . . . 0.0 110.017 174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -42.31 94.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.887 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 68.3 mt -62.64 -47.3 93.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.3 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.59 -20.1 20.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.743 0.306 . . . . 0.0 111.143 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.3 m -85.24 -53.14 5.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 111.194 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.7 t -74.8 -46.76 34.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.01 -175.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -89.57 -57.13 1.78 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.834 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.62 179.88 17.05 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.911 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.573 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 44.4 tp -64.4 -46.93 78.42 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.22 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 9.8 Cg_endo -54.68 -36.16 89.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.172 1.915 . . . . 0.0 112.264 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.4 -34.69 65.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.8 -42.91 94.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.79 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.8 t -58.87 -46.31 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.53 176.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -56.17 -47.61 77.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.624 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.89 78.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.962 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.27 -48.64 16.94 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 36.0 t -70.71 -20.54 22.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.984 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -78.38 -4.62 49.14 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 38.0 t -80.7 111.98 17.64 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.49 -26.66 68.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -55.91 -46.96 78.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.574 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.46 -30.74 37.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.55 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.05 95.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.64 176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.73 -30.83 63.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.398 0.618 . . . . 0.0 110.255 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -64.08 -50.49 68.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.014 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.27 -41.47 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.824 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 114.27 172.77 17.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.877 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.22 -19.35 12.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.717 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -102.45 -35.54 8.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.25 -177.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 5.3 m -81.88 141.17 33.63 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.28 127.99 88.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -31.33 104.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 124.291 3.328 . . . . 0.0 113.373 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.24 78.69 8.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.8 -173.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.56 -51.82 18.23 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.474 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -87.25 92.88 9.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.486 0.66 . . . . 0.0 111.799 -175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -116.01 -80.97 0.87 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 171.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.9 mt 68.59 149.12 0.07 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.687 0.756 . . . . 0.0 112.906 172.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.0 63.32 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.664 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.25 42.46 0.58 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.222 0.534 . . . . 0.0 111.342 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -150.56 -62.07 0.2 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.255 176.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -158.5 136.58 10.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.714 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 155' ' ' HIS . 71.2 t60 -70.44 115.84 10.08 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -72.7 -6.59 45.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.019 -175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . 0.466 ' HA ' ' NE2' ' A' ' 153' ' ' HIS . 96.6 m-70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.099 -177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.479 0.627 0 N-CA-C 110.687 -0.544 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -86.33 -67.08 0.84 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.043 0.449 . . . . 0.0 109.847 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -140.44 -35.61 0.5 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.542 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.5 t80 63.69 83.84 0.16 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -108.47 37.2 2.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.001 176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.13 100.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.303 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.67 137.76 20.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.93 11.1 9.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.479 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.69 24.18 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.749 -177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 10' ' ' LYS . 31.3 pttt -62.63 -55.48 26.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.356 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 68.52 -9.09 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 173.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 67.12 -174.06 0.19 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.268 0.627 . . . . 0.0 111.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -82.19 149.53 27.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.107 0.48 . . . . 0.0 111.558 -173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -82.61 136.46 34.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.488 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.53 148.7 26.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 mmt -89.37 110.55 21.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.224 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -122.4 134.89 25.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.728 -176.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.32 117.77 4.64 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.091 1.86 . . . . 0.0 110.366 171.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.18 -10.48 9.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.425 -0.893 . . . . 0.0 111.781 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.2 mt -83.4 142.7 30.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -78.27 172.18 13.97 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.69 72.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.236 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.72 -47.14 76.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 mp0 -59.7 -47.51 85.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.517 178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 29' ' ' ILE . 95.1 mttt -63.11 -40.74 98.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -57.02 -43.59 82.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.651 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.87 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.855 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 24' ' ' GLU . 97.2 t -65.18 -41.05 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.544 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 25' ' ' LYS . 80.5 mt -63.21 -47.27 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.77 177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -62.45 -38.88 91.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.617 178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.75 99.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.409 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.41 64.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -59.28 -41.47 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.961 0.41 . . . . 0.0 111.209 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -74.7 -19.44 60.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.785 -177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -100.06 -18.35 17.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 mm -89.33 -51.38 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.792 0.33 . . . . 0.0 110.581 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -93.04 -34.24 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.828 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 58.46 27.2 15.19 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.182 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HG2' ' N ' ' A' ' 40' ' ' ASP . 22.7 ttt180 -163.83 165.13 23.23 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 16.1 t0 -63.55 129.27 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.571 HG13 ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -84.17 21.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.221 0.534 . . . . 0.0 110.984 -176.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 41' ' ' ILE . 34.2 m 81.38 104.0 0.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.867 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -66.48 52.86 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.26 -13.28 6.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.622 171.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE2' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -66.83 167.37 11.55 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.655 177.392 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -173.64 -81.98 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 173.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.5 pm0 -65.53 -29.79 70.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -167.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.6 m -67.89 -32.19 72.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.321 0.581 . . . . 0.0 110.284 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 45' ' ' TYR . 16.8 mt -69.06 -50.32 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.966 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 m -56.79 -36.86 70.35 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.079 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -62.61 -57.69 10.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.66 -36.9 85.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -54.49 -53.75 50.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.775 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -63.21 -34.34 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.53 -50.04 68.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.079 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -74.82 -29.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 0.0 110.756 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HD3' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.32 -38.12 82.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.882 0.372 . . . . 0.0 110.821 178.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -91.04 -0.61 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.446 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.5 28.83 62.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.323 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.06 -29.06 57.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.126 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 65' ' ' GLU . 28.8 pt -131.78 147.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.554 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.592 ' HB2' ' HG2' ' A' ' 65' ' ' GLU . 19.9 m -72.67 164.99 25.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.142 176.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 67' ' ' VAL . 95.5 mmm -64.69 -36.09 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.86 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' OE1' ' A' ' 65' ' ' GLU . 13.8 ptmm? -62.86 -32.29 73.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.592 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 5.1 mm-40 -75.62 -41.19 54.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.61 -44.74 93.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.501 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 63' ' ' MET . 94.1 t -62.81 -43.59 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 177.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' HB2' HG11 ' A' ' 128' ' ' VAL . 45.1 ttp180 -62.67 -35.43 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mmp_? -63.97 -52.21 60.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.028 175.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.38 -47.1 86.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB3' HG11 ' A' ' 124' ' ' VAL . . . -68.93 -21.94 64.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.391 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.668 ' HE3' ' HB3' ' A' ' 125' ' ' ASP . 63.3 mttt -93.55 -4.13 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.586 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.6 m -74.25 142.24 78.39 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.18 -27.87 18.44 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.453 2.768 . . . . 0.0 113.457 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.503 HD21 ' HB ' ' A' ' 41' ' ' ILE . 32.7 tp -64.58 -48.81 73.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.76 0.314 . . . . 0.0 111.127 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.16 -37.18 66.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 109.909 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.83 -24.51 66.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.222 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -70.74 -25.51 62.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.064 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -102.1 169.3 8.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.239 -0.892 . . . . 0.0 109.977 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 84' ' ' PHE . 65.5 m-85 69.39 -49.13 0.61 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -79.89 -36.71 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.585 ' H ' ' HD2' ' A' ' 83' ' ' PRO . 34.8 tt0 -99.31 -54.41 0.18 Allowed Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -176.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.585 ' HD2' ' H ' ' A' ' 82' ' ' GLU . 18.3 Cg_endo -61.8 -36.02 75.84 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.793 1.662 . . . . 0.0 111.923 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 80' ' ' PHE . 85.3 m-85 -108.53 171.66 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.515 HG13 ' H ' ' A' ' 88' ' ' ARG . 37.6 pt -89.6 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 89' ' ' ALA . 26.2 p30 -62.91 -21.45 66.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.591 0.234 . . . . 0.0 111.534 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.7 t -68.03 -30.48 69.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.146 0.498 . . . . 0.0 109.889 175.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.515 ' H ' HG13 ' A' ' 85' ' ' ILE . 10.2 tpt180 -86.81 -36.83 18.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.795 175.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 86' ' ' ASN . . . -59.38 -33.8 71.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.853 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -59.8 -47.58 85.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.074 176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.43 -48.77 79.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -59.57 -44.37 93.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.185 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.86 76.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.724 0.297 . . . . 0.0 111.122 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' HB3' ' HA2' ' A' ' 101' ' ' GLY . 9.9 m-85 -64.01 -34.91 79.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.878 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.55 -29.57 27.75 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.177 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.05 -44.41 11.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.148 -177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.0 mt -83.16 -54.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.907 0.384 . . . . 0.0 110.978 -177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' HD13 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -80.66 -19.26 45.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.827 -176.378 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.07 15.02 81.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.647 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -132.22 -78.72 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.044 0.45 . . . . 0.0 110.957 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.516 ' HA2' ' HB3' ' A' ' 94' ' ' PHE . . . 136.49 172.03 12.45 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.43 118.24 5.29 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.536 2.157 . . . . 0.0 111.761 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.0 p -92.21 -54.33 3.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.027 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.9 m -100.97 151.75 21.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.605 -176.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -63.52 -36.39 83.63 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 106' ' ' GLU . 25.4 mp0 -59.24 -44.48 92.35 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.591 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -60.85 -40.75 94.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.35 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' SER . 76.2 t -59.78 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.804 177.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.94 -29.24 69.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.766 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -61.05 -58.35 8.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.209 0.528 . . . . 0.0 110.461 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 123' ' ' LEU . 79.4 m-85 -77.8 -24.74 48.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.623 -175.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -64.79 -36.34 84.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.185 0.517 . . . . 0.0 109.728 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -65.41 -38.87 91.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.756 176.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 111' ' ' TYR . 63.5 mt -61.3 -50.02 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.103 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.45 HG23 ' HA ' ' A' ' 120' ' ' LEU . 11.4 p -68.19 -22.75 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.025 0.441 . . . . 0.0 111.109 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.3 t -79.29 -24.98 42.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.139 177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.4 m -93.05 -60.63 1.75 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.576 -176.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.06 6.52 59.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.643 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 115' ' ' VAL . . . 81.15 -166.36 48.16 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.465 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.597 ' N ' ' HD2' ' A' ' 121' ' ' PRO . 52.3 tp -61.77 -49.23 87.08 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 120' ' ' LEU . 11.3 Cg_endo -54.66 -35.19 86.33 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.382 2.055 . . . . 0.0 113.315 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.448 ' HA ' ' OD2' ' A' ' 125' ' ' ASP . . . -63.99 -35.31 80.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.984 0.421 . . . . 0.0 111.124 -178.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 69.7 tp -67.25 -38.41 85.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.451 0.643 . . . . 0.0 109.959 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 71' ' ' ALA . 72.0 t -62.87 -52.11 63.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.2 -179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.668 ' HB3' ' HE3' ' A' ' 72' ' ' LYS . 2.5 p30 -69.32 -25.12 64.06 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.861 -176.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.44 97.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.405 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 133' ' ' TYR . 96.7 mt -76.19 -48.1 21.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.383 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.467 HG11 ' HB2' ' A' ' 68' ' ' ARG . 89.5 t -72.4 -29.33 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -171.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -78.11 -25.58 47.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.982 -0.449 . . . . 0.0 111.516 -174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.8 t -60.27 125.91 25.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.128 0.489 . . . . 0.0 110.681 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.541 HE21 ' N ' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -69.49 -21.25 63.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -177.319 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.12 -49.07 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.316 0.579 . . . . 0.0 110.0 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.47 ' HA ' ' HB3' ' A' ' 136' ' ' TYR . 11.4 m-85 -79.48 -25.39 41.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.459 -177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.86 88.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.69 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.25 -33.36 59.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.113 0.483 . . . . 0.0 110.646 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.47 ' HB3' ' HA ' ' A' ' 133' ' ' TYR . 55.3 t80 -61.54 -43.38 98.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.478 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.462 ' HZ ' ' HA ' ' A' ' 98' ' ' LEU . 68.7 m-85 -94.27 -41.25 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.282 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.24 131.39 7.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 62' ' ' SER . 33.0 mt-10 -67.28 -23.73 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -86.58 -25.89 24.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.297 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.1 m -91.16 144.18 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -171.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.465 ' O ' ' HD2' ' A' ' 144' ' ' TYR . 45.5 t -79.0 122.17 84.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.402 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -56.44 116.41 3.17 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.653 2.235 . . . . 0.0 112.18 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.465 ' HD2' ' O ' ' A' ' 142' ' ' VAL . 53.2 p90 -133.13 156.4 47.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.012 -176.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 110.37 9.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.708 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -87.39 108.99 19.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.126 0.489 . . . . 0.0 110.682 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.26 -146.94 5.91 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 175.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 75.6 mt 58.44 33.02 22.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.087 0.47 . . . . 0.0 110.826 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.82 107.63 1.87 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.56 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -82.51 -168.89 2.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -65.84 107.74 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.23 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -121.32 131.56 54.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.047 0.451 . . . . 0.0 111.053 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -72.96 -53.56 10.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.331 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -168.61 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 173.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 114.322 -1.308 . . . . 0.0 108.506 166.194 . . . . . . . . 0 0 . 1 stop_ save_